2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile

C316H187N33 — CID 159131102

IUPAC2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
SMILES[C-]#[N+]c1cc(-n2c3ccc(C(C)(C)C)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(C(C)(C)C)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc3ccccc3c2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3ccccc3cc21
InChIInChI=1S/C48H27N5.2C40H22N4.2C40H28N4.3C36H20N4/c1-50-39-25-22-31(29-49)47(52-42-20-10-6-16-36(42)37-17-7-11-21-43(37)52)48(39)53-44-27-24-32(28-38(44)46-33-13-3-2-12-30(33)23-26-45(46)53)51-40-18-8-4-14-34(40)35-15-5-9-19-41(35)51;1-42-32-21-18-27(24-41)39(43-33-16-8-6-14-30(33)31-15-7-9-17-34(31)43)40(32)44-35-22-19-25-10-2-4-12-28(25)37(35)38-29-13-5-3-11-26(29)20-23-36(38)44;1-42-32-23-37(27(24-41)22-38(32)43-33-16-8-6-14-30(33)31-15-7-9-17-34(31)43)44-35-20-18-25-10-2-4-12-28(25)39(35)40-29-13-5-3-11-26(29)19-21-36(40)44;1-40(2,3)27-19-22-35-31(23-27)37-28-12-6-5-11-25(28)18-21-36(37)44(35)39-32(42-4)20-17-26(24-41)38(39)43-33-15-9-7-13-29(33)30-14-8-10-16-34(30)43;1-40(2,3)27-18-20-35-31(22-27)39-28-12-6-5-11-25(28)17-19-36(39)44(35)37-23-32(42-4)38(21-26(37)24-41)43-33-15-9-7-13-29(33)30-14-8-10-16-34(30)43;1-38-29-20-18-24(22-37)35(39-30-15-7-4-12-26(30)27-13-5-8-16-31(27)39)36(29)40-32-17-9-6-14-28(32)34-25-11-3-2-10-23(25)19-21-33(34)40;1-38-30-19-18-25(22-37)35(39-31-15-7-4-12-26(31)27-13-5-8-16-32(27)39)36(30)40-33-17-9-6-14-28(33)29-20-23-10-2-3-11-24(23)21-34(29)40;1-38-29-21-34(40-32-17-9-6-14-28(32)36-25-11-3-2-10-23(25)18-19-33(36)40)24(22-37)20-35(29)39-30-15-7-4-12-26(30)27-13-5-8-16-31(27)39/h2-28H;2*2-23H;2*5-23H,1-3H3;3*2-21H
InChIKeyKGXDAGJOOXDBIP-UHFFFAOYSA-N
MW4446.20 g/mol
LogP83.65
Rot. Bonds17

About 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile

2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile (PubChem CID 159131102) has the molecular formula C316H187N33 and a molecular weight of 4446.20 g/mol. Its IUPAC name is 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile.

Molecular Properties

Compound Name2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
PubChem CID159131102
Molecular FormulaC316H187N33
Molecular Weight4446.20 g/mol
Exact Mass4442.56
IUPAC Name2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
SMILES[C-]#[N+]c1cc(-n2c3ccc(C(C)(C)C)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(C(C)(C)C)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc3ccccc3c2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3ccccc3cc21
InChIInChI=1S/C48H27N5.2C40H22N4.2C40H28N4.3C36H20N4/c1-50-39-25-22-31(29-49)47(52-42-20-10-6-16-36(42)37-17-7-11-21-43(37)52)48(39)53-44-27-24-32(28-38(44)46-33-13-3-2-12-30(33)23-26-45(46)53)51-40-18-8-4-14-34(40)35-15-5-9-19-41(35)51;1-42-32-21-18-27(24-41)39(43-33-16-8-6-14-30(33)31-15-7-9-17-34(31)43)40(32)44-35-22-19-25-10-2-4-12-28(25)37(35)38-29-13-5-3-11-26(29)20-23-36(38)44;1-42-32-23-37(27(24-41)22-38(32)43-33-16-8-6-14-30(33)31-15-7-9-17-34(31)43)44-35-20-18-25-10-2-4-12-28(25)39(35)40-29-13-5-3-11-26(29)19-21-36(40)44;1-40(2,3)27-19-22-35-31(23-27)37-28-12-6-5-11-25(28)18-21-36(37)44(35)39-32(42-4)20-17-26(24-41)38(39)43-33-15-9-7-13-29(33)30-14-8-10-16-34(30)43;1-40(2,3)27-18-20-35-31(22-27)39-28-12-6-5-11-25(28)17-19-36(39)44(35)37-23-32(42-4)38(21-26(37)24-41)43-33-15-9-7-13-29(33)30-14-8-10-16-34(30)43;1-38-29-20-18-24(22-37)35(39-30-15-7-4-12-26(30)27-13-5-8-16-31(27)39)36(29)40-32-17-9-6-14-28(32)34-25-11-3-2-10-23(25)19-21-33(34)40;1-38-30-19-18-25(22-37)35(39-31-15-7-4-12-26(31)27-13-5-8-16-32(27)39)36(30)40-33-17-9-6-14-28(33)29-20-23-10-2-3-11-24(23)21-34(29)40;1-38-29-21-34(40-32-17-9-6-14-28(32)36-25-11-3-2-10-23(25)18-19-33(36)40)24(22-37)20-35(29)39-30-15-7-4-12-26(30)27-13-5-8-16-31(27)39/h2-28H;2*2-23H;2*5-23H,1-3H3;3*2-21H
InChIKeyKGXDAGJOOXDBIP-UHFFFAOYSA-N
XLogP83.65
TPSA309.01 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms349
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004446.20
LogP ≤ 583.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile with MolForge

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Related Compounds

4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-5-isocyanobenzonitrile
CID 153462165
3-benzo[c]carbazol-7-yl-2-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile
CID 153462667
2-(3-tert-butylcarbazol-9-yl)-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile
CID 161108157
3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile;3-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile;3-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 161274257
4-isocyano-2,5-bis(12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)benzonitrile
CID 153462138
4-isocyano-2,5-bis(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)benzonitrile
CID 153462703
5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 153462349
5-benzo[c]carbazol-7-yl-2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 159006243
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-2-(2-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153462427
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462118
2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462269
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-isocyanobenzonitrile
CID 153461957

Frequently Asked Questions

What is the IUPAC name of 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile?
The IUPAC name of 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile (CID 159131102) is 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile.
What is the SMILES notation for 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile?
The canonical SMILES for 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile is [C-]#[N+]c1cc(-n2c3ccc(C(C)(C)C)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(C(C)(C)C)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc3ccccc3c2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3ccccc3cc21.
What is the InChIKey of 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile?
The InChIKey is KGXDAGJOOXDBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N5.2C40H22N4.2C40H28N4.3C36H20N4/c1-50-39-25-22-31(29-49)47(52-42-20-10-6-16-36(42)37-17-7-11-21-43(37)52)48(39)53-44-27-24-32(28-38(44)46-33-13-3-2-12-30(33)23-26-45(46)53)51-40-18-8-4-14-34(40)35-15-5-9-19-41(35)51;1-42-32-21-18-27(24-41)39(43-33-16-8-6-14-30(33)31-15-7-9-17-34(31)43)40(32)44-35-22-19-25-10-2-4-12-28(25)37(35)38-29-13-5-3-11-26(29)20-23-36(38)44;1-42-32-23-37(27(24-41)22-38(32)43-33-16-8-6-14-30(33)31-15-7-9-17-34(31)43)44-35-20-18-25-10-2-4-12-28(25)39(35)40-29-13-5-3-11-26(29)19-21-36(40)44;1-40(2,3)27-19-22-35-31(23-27)37-28-12-6-5-11-25(28)18-21-36(37)44(35)39-32(42-4)20-17-26(24-41)38(39)43-33-15-9-7-13-29(33)30-14-8-10-16-34(30)43;1-40(2,3)27-18-20-35-31(22-27)39-28-12-6-5-11-25(28)17-19-36(39)44(35)37-23-32(42-4)38(21-26(37)24-41)43-33-15-9-7-13-29(33)30-14-8-10-16-34(30)43;1-38-29-20-18-24(22-37)35(39-30-15-7-4-12-26(30)27-13-5-8-16-31(27)39)36(29)40-32-17-9-6-14-28(32)34-25-11-3-2-10-23(25)19-21-33(34)40;1-38-30-19-18-25(22-37)35(39-31-15-7-4-12-26(31)27-13-5-8-16-32(27)39)36(30)40-33-17-9-6-14-28(33)29-20-23-10-2-3-11-24(23)21-34(29)40;1-38-29-21-34(40-32-17-9-6-14-28(32)36-25-11-3-2-10-23(25)18-19-33(36)40)24(22-37)20-35(29)39-30-15-7-4-12-26(30)27-13-5-8-16-31(27)39/h2-28H;2*2-23H;2*5-23H,1-3H3;3*2-21H.
What are the key properties of 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile?
2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile has a molecular weight of 4446.20 g/mol, XLogP of 83.65, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-benzo[c]carbazol-7-yl-5-carbazol-9-yl-4-isocyanobenzonitrile;3-benzo[c]carbazol-7-yl-2-carbazol-9-yl-4-isocyanobenzonitrile;2-(10-tert-butylbenzo[c]carbazol-7-yl)-5-carbazol-9-yl-4-isocyanobenzonitrile;3-(10-tert-butylbenzo[c]carbazol-7-yl)-2-carbazol-9-yl-4-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile is sourced from PubChem (CID 159131102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).