10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

C240H140N24 — CID 158559250

IUPAC10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
SMILESCc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n2c31.Cc1ccc2c(c1)c1cc(C#N)cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n2c13.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n2c13.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4cc(C#N)ccc4n2c31.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)cc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n4c35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)cc5c6ccccc6n4c53)n2)cc1
InChIInChI=1S/C57H34N6.C45H27N5.C43H24N4.C32H16N4.C32H19N3.C31H20N2/c1-3-15-35(16-4-1)55-58-56(36-17-5-2-6-18-36)60-57(59-55)37-27-29-52-44(31-37)46-33-39(62-50-25-13-9-21-42(50)43-22-10-14-26-51(43)62)34-47-45-32-38(28-30-53(45)63(52)54(46)47)61-48-23-11-7-19-40(48)41-20-8-12-24-49(41)61;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)30-23-24-41-35(25-30)37-27-31(26-36-34-19-9-12-22-40(34)50(41)42(36)37)49-38-20-10-7-17-32(38)33-18-8-11-21-39(33)49;1-44-26-18-20-41-33(22-26)35-24-28(46-39-16-8-4-12-31(39)32-13-5-9-17-40(32)46)25-36-34-23-27(19-21-42(34)47(41)43(35)36)45-37-14-6-2-10-29(37)30-11-3-7-15-38(30)45;1-34-20-11-13-31-25(15-20)27-17-21(16-26-24-14-19(18-33)10-12-30(24)36(31)32(26)27)35-28-8-4-2-6-22(28)23-7-3-5-9-29(23)35;1-19-10-12-30-24(14-19)26-15-20(18-33)16-27-25-17-21(11-13-31(25)35(30)32(26)27)34-28-8-4-2-6-22(28)23-7-3-5-9-29(23)34;1-19-14-15-30-24(16-19)26-18-20(17-25-23-10-4-7-13-29(23)33(30)31(25)26)32-27-11-5-2-8-21(27)22-9-3-6-12-28(22)32/h1-34H;1-27H;2-25H;2-17H;2-17H,1H3;2-18H,1H3
InChIKeyHQRGQYXFILNNBA-UHFFFAOYSA-N
MW3359.93 g/mol
LogP61.63
Rot. Bonds14

About 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene (PubChem CID 158559250) has the molecular formula C240H140N24 and a molecular weight of 3359.93 g/mol. Its IUPAC name is 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene.

Molecular Properties

Compound Name10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
PubChem CID158559250
Molecular FormulaC240H140N24
Molecular Weight3359.93 g/mol
Exact Mass3357.17
IUPAC Name10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
SMILESCc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n2c31.Cc1ccc2c(c1)c1cc(C#N)cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n2c13.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n2c13.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4cc(C#N)ccc4n2c31.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)cc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n4c35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)cc5c6ccccc6n4c53)n2)cc1
InChIInChI=1S/C57H34N6.C45H27N5.C43H24N4.C32H16N4.C32H19N3.C31H20N2/c1-3-15-35(16-4-1)55-58-56(36-17-5-2-6-18-36)60-57(59-55)37-27-29-52-44(31-37)46-33-39(62-50-25-13-9-21-42(50)43-22-10-14-26-51(43)62)34-47-45-32-38(28-30-53(45)63(52)54(46)47)61-48-23-11-7-19-40(48)41-20-8-12-24-49(41)61;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)30-23-24-41-35(25-30)37-27-31(26-36-34-19-9-12-22-40(34)50(41)42(36)37)49-38-20-10-7-17-32(38)33-18-8-11-21-39(33)49;1-44-26-18-20-41-33(22-26)35-24-28(46-39-16-8-4-12-31(39)32-13-5-9-17-40(32)46)25-36-34-23-27(19-21-42(34)47(41)43(35)36)45-37-14-6-2-10-29(37)30-11-3-7-15-38(30)45;1-34-20-11-13-31-25(15-20)27-17-21(16-26-24-14-19(18-33)10-12-30(24)36(31)32(26)27)35-28-8-4-2-6-22(28)23-7-3-5-9-29(23)35;1-19-10-12-30-24(14-19)26-15-20(18-33)16-27-25-17-21(11-13-31(25)35(30)32(26)27)34-28-8-4-2-6-22(28)23-7-3-5-9-29(23)34;1-19-14-15-30-24(16-19)26-18-20(17-25-23-10-4-7-13-29(23)33(30)31(25)26)32-27-11-5-2-8-21(27)22-9-3-6-12-28(22)32/h1-34H;1-27H;2-25H;2-17H;2-17H,1H3;2-18H,1H3
InChIKeyHQRGQYXFILNNBA-UHFFFAOYSA-N
XLogP61.63
TPSA199.54 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003359.93
LogP ≤ 561.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
The IUPAC name of 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene (CID 158559250) is 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene.
What is the SMILES notation for 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
The canonical SMILES for 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene is Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n2c31.Cc1ccc2c(c1)c1cc(C#N)cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n2c13.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n2c13.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4cc(C#N)ccc4n2c31.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)cc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n4c35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)cc5c6ccccc6n4c53)n2)cc1.
What is the InChIKey of 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
The InChIKey is HQRGQYXFILNNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6.C45H27N5.C43H24N4.C32H16N4.C32H19N3.C31H20N2/c1-3-15-35(16-4-1)55-58-56(36-17-5-2-6-18-36)60-57(59-55)37-27-29-52-44(31-37)46-33-39(62-50-25-13-9-21-42(50)43-22-10-14-26-51(43)62)34-47-45-32-38(28-30-53(45)63(52)54(46)47)61-48-23-11-7-19-40(48)41-20-8-12-24-49(41)61;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)30-23-24-41-35(25-30)37-27-31(26-36-34-19-9-12-22-40(34)50(41)42(36)37)49-38-20-10-7-17-32(38)33-18-8-11-21-39(33)49;1-44-26-18-20-41-33(22-26)35-24-28(46-39-16-8-4-12-31(39)32-13-5-9-17-40(32)46)25-36-34-23-27(19-21-42(34)47(41)43(35)36)45-37-14-6-2-10-29(37)30-11-3-7-15-38(30)45;1-34-20-11-13-31-25(15-20)27-17-21(16-26-24-14-19(18-33)10-12-30(24)36(31)32(26)27)35-28-8-4-2-6-22(28)23-7-3-5-9-29(23)35;1-19-10-12-30-24(14-19)26-15-20(18-33)16-27-25-17-21(11-13-31(25)35(30)32(26)27)34-28-8-4-2-6-22(28)23-7-3-5-9-29(23)34;1-19-14-15-30-24(16-19)26-18-20(17-25-23-10-4-7-13-29(23)33(30)31(25)26)32-27-11-5-2-8-21(27)22-9-3-6-12-28(22)32/h1-34H;1-27H;2-25H;2-17H;2-17H,1H3;2-18H,1H3.
What are the key properties of 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene has a molecular weight of 3359.93 g/mol, XLogP of 61.63, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5-carbonitrile;10-carbazol-9-yl-5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-carbazol-9-yl-15-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile;5,10-di(carbazol-9-yl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;5,10-di(carbazol-9-yl)-15-isocyano-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene is sourced from PubChem (CID 158559250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).