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

C187H111B5N30O — CID 167591845

IUPAC2-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
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)n1.N#Cc1nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(-n2c3ccccc3c3ccccc32)n1.N#Cc1nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)n1.[C-]#[N+]c1nc(C#N)cc(N2c3ccccc3B3c4ccccc4Oc4cccc2c43)n1
InChIInChI=1S/3C41H25BN6.C40H24BN7.C24H12BN5O/c43-26-27-25-39(45-41(44-27)48-33-19-8-4-15-29(33)30-16-5-9-20-34(30)48)47-36-22-11-7-18-32(36)42-31-17-6-10-21-35(31)46(28-13-2-1-3-14-28)37-23-12-24-38(47)40(37)42;43-26-27-25-39(47-33-19-8-4-15-29(33)30-16-5-9-20-34(30)47)45-41(44-27)48-36-22-11-7-18-32(36)42-31-17-6-10-21-35(31)46(28-13-2-1-3-14-28)37-23-12-24-38(48)40(37)42;43-26-38-44-39(47-32-19-8-4-15-28(32)29-16-5-9-20-33(29)47)25-40(45-38)48-35-22-11-7-18-31(35)42-30-17-6-10-21-34(30)46(27-13-2-1-3-14-27)36-23-12-24-37(48)41(36)42;42-25-37-43-39(47-31-19-8-4-15-27(31)28-16-5-9-20-32(28)47)45-40(44-37)48-34-22-11-7-18-30(34)41-29-17-6-10-21-33(29)46(26-13-2-1-3-14-26)35-23-12-24-36(48)38(35)41;1-27-24-28-15(14-26)13-22(29-24)30-18-9-4-2-7-16(18)25-17-8-3-5-11-20(17)31-21-12-6-10-19(30)23(21)25/h3*1-25H;1-24H;2-13H
InChIKeyINQRPZZVKDKGOE-UHFFFAOYSA-N
MW2848.21 g/mol
LogP32.81
Rot. Bonds13

About 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

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 (PubChem CID 167591845) has the molecular formula C187H111B5N30O and a molecular weight of 2848.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167591845
Molecular FormulaC187H111B5N30O
Molecular Weight2848.21 g/mol
Exact Mass2847.00
IUPAC Name2-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
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)n1.N#Cc1nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(-n2c3ccccc3c3ccccc32)n1.N#Cc1nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)n1.[C-]#[N+]c1nc(C#N)cc(N2c3ccccc3B3c4ccccc4Oc4cccc2c43)n1
InChIInChI=1S/3C41H25BN6.C40H24BN7.C24H12BN5O/c43-26-27-25-39(45-41(44-27)48-33-19-8-4-15-29(33)30-16-5-9-20-34(30)48)47-36-22-11-7-18-32(36)42-31-17-6-10-21-35(31)46(28-13-2-1-3-14-28)37-23-12-24-38(47)40(37)42;43-26-27-25-39(47-33-19-8-4-15-29(33)30-16-5-9-20-34(30)47)45-41(44-27)48-36-22-11-7-18-32(36)42-31-17-6-10-21-35(31)46(28-13-2-1-3-14-28)37-23-12-24-38(48)40(37)42;43-26-38-44-39(47-32-19-8-4-15-28(32)29-16-5-9-20-33(29)47)25-40(45-38)48-35-22-11-7-18-31(35)42-30-17-6-10-21-34(30)46(27-13-2-1-3-14-27)36-23-12-24-37(48)41(36)42;42-25-37-43-39(47-31-19-8-4-15-27(31)28-16-5-9-20-32(28)47)45-40(44-37)48-34-22-11-7-18-30(34)41-29-17-6-10-21-33(29)46(26-13-2-1-3-14-26)35-23-12-24-36(48)38(35)41;1-27-24-28-15(14-26)13-22(29-24)30-18-9-4-2-7-16(18)25-17-8-3-5-11-20(17)31-21-12-6-10-19(30)23(21)25/h3*1-25H;1-24H;2-13H
InChIKeyINQRPZZVKDKGOE-UHFFFAOYSA-N
XLogP32.81
TPSA323.21 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002848.21
LogP ≤ 532.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-n2c3ccccc3c3ccccc32)nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)n1.N#Cc1cc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)n1.N#Cc1nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc(-n2c3ccccc3c3ccccc32)n1.N#Cc1nc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)nc(-n2c3ccccc3c3ccccc32)n1.[C-]#[N+]c1nc(C#N)cc(N2c3ccccc3B3c4ccccc4Oc4cccc2c43)n1.
What is the InChIKey of 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?
The InChIKey is INQRPZZVKDKGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C41H25BN6.C40H24BN7.C24H12BN5O/c43-26-27-25-39(45-41(44-27)48-33-19-8-4-15-29(33)30-16-5-9-20-34(30)48)47-36-22-11-7-18-32(36)42-31-17-6-10-21-35(31)46(28-13-2-1-3-14-28)37-23-12-24-38(47)40(37)42;43-26-27-25-39(47-33-19-8-4-15-29(33)30-16-5-9-20-34(30)47)45-41(44-27)48-36-22-11-7-18-32(36)42-31-17-6-10-21-35(31)46(28-13-2-1-3-14-28)37-23-12-24-38(48)40(37)42;43-26-38-44-39(47-32-19-8-4-15-28(32)29-16-5-9-20-33(29)47)25-40(45-38)48-35-22-11-7-18-31(35)42-30-17-6-10-21-34(30)46(27-13-2-1-3-14-27)36-23-12-24-37(48)41(36)42;42-25-37-43-39(47-31-19-8-4-15-27(31)28-16-5-9-20-32(28)47)45-40(44-37)48-34-22-11-7-18-30(34)41-29-17-6-10-21-33(29)46(26-13-2-1-3-14-26)35-23-12-24-36(48)38(35)41;1-27-24-28-15(14-26)13-22(29-24)30-18-9-4-2-7-16(18)25-17-8-3-5-11-20(17)31-21-12-6-10-19(30)23(21)25/h3*1-25H;1-24H;2-13H.
What are the key properties of 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?
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 has a molecular weight of 2848.21 g/mol, XLogP of 32.81, 13 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167591845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).