2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile

C285H174B9N37 — CID 167670937

IUPAC2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(-n2c3ccccc3c3ccccc32)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)c1.[C-]#[N+]c1cc(C#N)cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.[C-]#[N+]c1cc(C#N)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)c1.[C-]#[N+]c1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(C#N)n1
InChIInChI=1S/2C54H34B2N6.2C42H26BN5.3C31H18BN5/c57-35-36-33-39(61-46-27-13-9-23-42(46)55-40-21-7-11-25-44(40)59(37-17-3-1-4-18-37)48-29-15-31-50(61)53(48)55)34-52(58-36)62-47-28-14-10-24-43(47)56-41-22-8-12-26-45(41)60(38-19-5-2-6-20-38)49-30-16-32-51(62)54(49)56;57-35-36-33-51(61-45-27-13-9-23-41(45)55-39-21-7-11-25-43(39)59(37-17-3-1-4-18-37)47-29-15-31-49(61)53(47)55)58-52(34-36)62-46-28-14-10-24-42(46)56-40-22-8-12-26-44(40)60(38-19-5-2-6-20-38)48-30-16-32-50(62)54(48)56;44-27-28-25-30(26-41(45-28)48-35-19-8-4-15-31(35)32-16-5-9-20-36(32)48)47-38-22-11-7-18-34(38)43-33-17-6-10-21-37(33)46(29-13-2-1-3-14-29)39-23-12-24-40(47)42(39)43;44-27-28-25-40(47-34-19-8-4-15-30(34)31-16-5-9-20-35(31)47)45-41(26-28)48-37-22-11-7-18-33(37)43-32-17-6-10-21-36(32)46(29-13-2-1-3-14-29)38-23-12-24-39(48)42(38)43;1-34-30-19-23(18-21(20-33)35-30)37-27-15-8-6-13-25(27)32-24-12-5-7-14-26(24)36(22-10-3-2-4-11-22)28-16-9-17-29(37)31(28)32;1-34-21-18-22(20-33)35-30(19-21)37-27-15-8-6-13-25(27)32-24-12-5-7-14-26(24)36(23-10-3-2-4-11-23)28-16-9-17-29(37)31(28)32;1-34-29-18-21(20-33)19-30(35-29)37-26-15-8-6-13-24(26)32-23-12-5-7-14-25(23)36(22-10-3-2-4-11-22)27-16-9-17-28(37)31(27)32/h2*1-34H;2*1-26H;3*2-19H
InChIKeyUCDPDUYRAYYKAT-UHFFFAOYSA-N
MW4214.09 g/mol
LogP51.26
Rot. Bonds20

About 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile

2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile (PubChem CID 167670937) has the molecular formula C285H174B9N37 and a molecular weight of 4214.09 g/mol. Its IUPAC name is 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile
PubChem CID167670937
Molecular FormulaC285H174B9N37
Molecular Weight4214.09 g/mol
Exact Mass4212.56
IUPAC Name2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(-n2c3ccccc3c3ccccc32)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)c1.[C-]#[N+]c1cc(C#N)cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.[C-]#[N+]c1cc(C#N)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)c1.[C-]#[N+]c1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(C#N)n1
InChIInChI=1S/2C54H34B2N6.2C42H26BN5.3C31H18BN5/c57-35-36-33-39(61-46-27-13-9-23-42(46)55-40-21-7-11-25-44(40)59(37-17-3-1-4-18-37)48-29-15-31-50(61)53(48)55)34-52(58-36)62-47-28-14-10-24-43(47)56-41-22-8-12-26-45(41)60(38-19-5-2-6-20-38)49-30-16-32-51(62)54(49)56;57-35-36-33-51(61-45-27-13-9-23-41(45)55-39-21-7-11-25-43(39)59(37-17-3-1-4-18-37)47-29-15-31-49(61)53(47)55)58-52(34-36)62-46-28-14-10-24-42(46)56-40-22-8-12-26-44(40)60(38-19-5-2-6-20-38)48-30-16-32-50(62)54(48)56;44-27-28-25-30(26-41(45-28)48-35-19-8-4-15-31(35)32-16-5-9-20-36(32)48)47-38-22-11-7-18-34(38)43-33-17-6-10-21-37(33)46(29-13-2-1-3-14-29)39-23-12-24-40(47)42(39)43;44-27-28-25-40(47-34-19-8-4-15-30(34)31-16-5-9-20-35(31)47)45-41(26-28)48-37-22-11-7-18-33(37)43-32-17-6-10-21-36(32)46(29-13-2-1-3-14-29)38-23-12-24-39(48)42(38)43;1-34-30-19-23(18-21(20-33)35-30)37-27-15-8-6-13-25(27)32-24-12-5-7-14-26(24)36(22-10-3-2-4-11-22)28-16-9-17-29(37)31(28)32;1-34-21-18-22(20-33)35-30(19-21)37-27-15-8-6-13-25(27)32-24-12-5-7-14-26(24)36(23-10-3-2-4-11-23)28-16-9-17-29(37)31(28)32;1-34-29-18-21(20-33)19-30(35-29)37-26-15-8-6-13-24(26)32-23-12-5-7-14-25(23)36(22-10-3-2-4-11-22)27-16-9-17-28(37)31(27)32/h2*1-34H;2*1-26H;3*2-19H
InChIKeyUCDPDUYRAYYKAT-UHFFFAOYSA-N
XLogP51.26
TPSA338.02 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004214.09
LogP ≤ 551.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile with MolForge

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Related Compounds

2-carbazol-9-yl-6-(8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-14-yl)pyridine-4-carbonitrile
CID 164931497
2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyrimidine-4-carbonitrile;4-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyrimidine-2-carbonitrile;6-carbazol-9-yl-2-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyrimidine-4-carbonitrile;4-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)-1,3,5-triazine-2-carbonitrile;2-isocyano-6-(8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-14-yl)pyrimidine-4-carbonitrile
CID 167591845
3-(3-cyano-5-isocyanophenyl)-4-[3-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-9-yl]benzonitrile
CID 155763037
3-isocyano-4-(21-phenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaen-24-yl)benzonitrile
CID 165068165
5,11,22-triphenyl-5,11,22,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene
CID 171607602
11-[9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-[2-[3-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-9-yl]phenyl]benzonitrile;8,14-diphenyl-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 160836318
17,29-di(carbazol-9-yl)-14,32-diphenyl-14,20,26,32-tetraza-1,7,39-triboratridecacyclo[23.19.1.12,6.17,15.126,40.127,31.08,13.021,45.033,38.019,48.020,49.039,47.044,46]nonatetraconta-2,4,6(49),8,10,12,15(48),16,18,21(45),22,24,27,29,31(47),33,35,37,40(46),41,43-henicosaene
CID 169037922
9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile
CID 170443521
5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
CID 123463711
8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 162505107
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158309650
8-[4-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 155785409

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile?
The IUPAC name of 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile (CID 167670937) is 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile?
The canonical SMILES for 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile is N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(-n2c3ccccc3c3ccccc32)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)c1.[C-]#[N+]c1cc(C#N)cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.[C-]#[N+]c1cc(C#N)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)c1.[C-]#[N+]c1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(C#N)n1.
What is the InChIKey of 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile?
The InChIKey is UCDPDUYRAYYKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34B2N6.2C42H26BN5.3C31H18BN5/c57-35-36-33-39(61-46-27-13-9-23-42(46)55-40-21-7-11-25-44(40)59(37-17-3-1-4-18-37)48-29-15-31-50(61)53(48)55)34-52(58-36)62-47-28-14-10-24-43(47)56-41-22-8-12-26-45(41)60(38-19-5-2-6-20-38)49-30-16-32-51(62)54(49)56;57-35-36-33-51(61-45-27-13-9-23-41(45)55-39-21-7-11-25-43(39)59(37-17-3-1-4-18-37)47-29-15-31-49(61)53(47)55)58-52(34-36)62-46-28-14-10-24-42(46)56-40-22-8-12-26-44(40)60(38-19-5-2-6-20-38)48-30-16-32-50(62)54(48)56;44-27-28-25-30(26-41(45-28)48-35-19-8-4-15-31(35)32-16-5-9-20-36(32)48)47-38-22-11-7-18-34(38)43-33-17-6-10-21-37(33)46(29-13-2-1-3-14-29)39-23-12-24-40(47)42(39)43;44-27-28-25-40(47-34-19-8-4-15-30(34)31-16-5-9-20-35(31)47)45-41(26-28)48-37-22-11-7-18-33(37)43-32-17-6-10-21-36(32)46(29-13-2-1-3-14-29)38-23-12-24-39(48)42(38)43;1-34-30-19-23(18-21(20-33)35-30)37-27-15-8-6-13-25(27)32-24-12-5-7-14-26(24)36(22-10-3-2-4-11-22)28-16-9-17-29(37)31(28)32;1-34-21-18-22(20-33)35-30(19-21)37-27-15-8-6-13-25(27)32-24-12-5-7-14-26(24)36(23-10-3-2-4-11-23)28-16-9-17-29(37)31(28)32;1-34-29-18-21(20-33)19-30(35-29)37-26-15-8-6-13-24(26)32-23-12-5-7-14-25(23)36(22-10-3-2-4-11-22)27-16-9-17-28(37)31(27)32/h2*1-34H;2*1-26H;3*2-19H.
What are the key properties of 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile?
2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile has a molecular weight of 4214.09 g/mol, XLogP of 51.26, 20 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4,6-bis(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-carbazol-9-yl-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;6-carbazol-9-yl-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;2-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-4-carbonitrile;4-isocyano-6-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile;6-isocyano-4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 167670937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).