3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile

C204H116N22 — CID 159228729

IUPAC3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
SMILES[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc4ccccc4cc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C48H27N5.C48H29N5.3C36H20N4/c1-50-32-26-31(29-49)48(53-42-20-10-6-16-37(42)38-17-7-11-21-43(38)53)46(27-32)52-44-25-23-33(28-39(44)47-34-13-3-2-12-30(34)22-24-45(47)52)51-40-18-8-4-14-35(40)36-15-5-9-19-41(36)51;1-50-41-28-33(31-49)46(52-42-22-12-10-20-38(42)39-21-11-13-23-43(39)52)30-47(41)53-44-27-25-36(51(34-15-4-2-5-16-34)35-17-6-3-7-18-35)29-40(44)48-37-19-9-8-14-32(37)24-26-45(48)53;1-38-26-18-25(22-37)36(40-32-16-8-4-12-27(32)28-13-5-9-17-33(28)40)35(21-26)39-31-15-7-6-14-29(31)30-19-23-10-2-3-11-24(23)20-34(30)39;1-38-25-20-24(22-37)35(39-31-15-7-4-12-27(31)28-13-5-8-16-32(28)39)34(21-25)40-33-17-9-6-14-29(33)30-19-18-23-10-2-3-11-26(23)36(30)40;1-38-30-20-24(22-37)34(39-31-15-7-4-12-26(31)27-13-5-8-16-32(27)39)21-35(30)40-33-17-9-6-14-28(33)29-19-18-23-10-2-3-11-25(23)36(29)40/h2-28H;2-30H;3*2-21H
InChIKeyKSPVXDOITMANPW-UHFFFAOYSA-N
MW2875.33 g/mol
LogP53.85
Rot. Bonds14

About 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile

3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile (PubChem CID 159228729) has the molecular formula C204H116N22 and a molecular weight of 2875.33 g/mol. Its IUPAC name is 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile.

Molecular Properties

Compound Name3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
PubChem CID159228729
Molecular FormulaC204H116N22
Molecular Weight2875.33 g/mol
Exact Mass2872.98
IUPAC Name3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
SMILES[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc4ccccc4cc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C48H27N5.C48H29N5.3C36H20N4/c1-50-32-26-31(29-49)48(53-42-20-10-6-16-37(42)38-17-7-11-21-43(38)53)46(27-32)52-44-25-23-33(28-39(44)47-34-13-3-2-12-30(34)22-24-45(47)52)51-40-18-8-4-14-35(40)36-15-5-9-19-41(36)51;1-50-41-28-33(31-49)46(52-42-22-12-10-20-38(42)39-21-11-13-23-43(39)52)30-47(41)53-44-27-25-36(51(34-15-4-2-5-16-34)35-17-6-3-7-18-35)29-40(44)48-37-19-9-8-14-32(37)24-26-45(48)53;1-38-26-18-25(22-37)36(40-32-16-8-4-12-27(32)28-13-5-9-17-33(28)40)35(21-26)39-31-15-7-6-14-29(31)30-19-23-10-2-3-11-24(23)20-34(30)39;1-38-25-20-24(22-37)35(39-31-15-7-4-12-27(31)28-13-5-8-16-32(28)39)34(21-25)40-33-17-9-6-14-29(33)30-19-18-23-10-2-3-11-26(23)36(30)40;1-38-30-20-24(22-37)34(39-31-15-7-4-12-26(31)27-13-5-8-16-32(27)39)21-35(30)40-33-17-9-6-14-28(33)29-19-18-23-10-2-3-11-25(23)36(29)40/h2-28H;2-30H;3*2-21H
InChIKeyKSPVXDOITMANPW-UHFFFAOYSA-N
XLogP53.85
TPSA198.22 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002875.33
LogP ≤ 553.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile with MolForge

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Related Compounds

4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 153462523
5-carbazol-9-yl-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462687
2,5-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;4-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 158176115
5-(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)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462451
2-(3-tert-butylcarbazol-9-yl)-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile
CID 161108157
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-5-isocyanobenzonitrile
CID 153462165
2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 158560069
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
5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462131
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
5-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;5-benzo[c]carbazol-7-yl-2-(10-dibenzothiophen-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-2-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 159669911

Frequently Asked Questions

What is the IUPAC name of 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The IUPAC name of 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile (CID 159228729) is 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile.
What is the SMILES notation for 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The canonical SMILES for 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile is [C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc4ccccc4cc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The InChIKey is KSPVXDOITMANPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N5.C48H29N5.3C36H20N4/c1-50-32-26-31(29-49)48(53-42-20-10-6-16-37(42)38-17-7-11-21-43(38)53)46(27-32)52-44-25-23-33(28-39(44)47-34-13-3-2-12-30(34)22-24-45(47)52)51-40-18-8-4-14-35(40)36-15-5-9-19-41(36)51;1-50-41-28-33(31-49)46(52-42-22-12-10-20-38(42)39-21-11-13-23-43(39)52)30-47(41)53-44-27-25-36(51(34-15-4-2-5-16-34)35-17-6-3-7-18-35)29-40(44)48-37-19-9-8-14-32(37)24-26-45(48)53;1-38-26-18-25(22-37)36(40-32-16-8-4-12-27(32)28-13-5-9-17-33(28)40)35(21-26)39-31-15-7-6-14-29(31)30-19-23-10-2-3-11-24(23)20-34(30)39;1-38-25-20-24(22-37)35(39-31-15-7-4-12-27(31)28-13-5-8-16-32(28)39)34(21-25)40-33-17-9-6-14-29(33)30-19-18-23-10-2-3-11-26(23)36(30)40;1-38-30-20-24(22-37)34(39-31-15-7-4-12-26(31)27-13-5-8-16-32(27)39)21-35(30)40-33-17-9-6-14-28(33)29-19-18-23-10-2-3-11-25(23)36(29)40/h2-28H;2-30H;3*2-21H.
What are the key properties of 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile has a molecular weight of 2875.33 g/mol, XLogP of 53.85, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;4-benzo[a]carbazol-11-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;3-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile;2-carbazol-9-yl-3-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile is sourced from PubChem (CID 159228729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).