2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile

C69H44N6 — CID 121329269

IUPAC2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4cc(N(c5ccccc5)c5ccccc5)ccc4n(-c4cc(C#N)c(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)cc4C#N)c3cc21
InChIInChI=1S/C69H44N6/c1-69(2)58-26-14-11-23-51(58)54-39-56-55-37-48(72(46-18-5-3-6-19-46)47-20-7-4-8-21-47)30-33-62(55)75(67(56)40-59(54)69)66-36-44(41-70)65(35-45(66)42-71)74-63-34-31-49(38-57(63)68-50-22-10-9-17-43(50)29-32-64(68)74)73-60-27-15-12-24-52(60)53-25-13-16-28-61(53)73/h3-40H,1-2H3
InChIKeyFXYXNNRYNQPPBP-UHFFFAOYSA-N
MW957.15 g/mol
LogP17.65
Rot. Bonds6

About 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile

2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile (PubChem CID 121329269) has the molecular formula C69H44N6 and a molecular weight of 957.15 g/mol. Its IUPAC name is 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
PubChem CID121329269
Molecular FormulaC69H44N6
Molecular Weight957.15 g/mol
Exact Mass956.36
IUPAC Name2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4cc(N(c5ccccc5)c5ccccc5)ccc4n(-c4cc(C#N)c(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)cc4C#N)c3cc21
InChIInChI=1S/C69H44N6/c1-69(2)58-26-14-11-23-51(58)54-39-56-55-37-48(72(46-18-5-3-6-19-46)47-20-7-4-8-21-47)30-33-62(55)75(67(56)40-59(54)69)66-36-44(41-70)65(35-45(66)42-71)74-63-34-31-49(38-57(63)68-50-22-10-9-17-43(50)29-32-64(68)74)73-60-27-15-12-24-52(60)53-25-13-16-28-61(53)73/h3-40H,1-2H3
InChIKeyFXYXNNRYNQPPBP-UHFFFAOYSA-N
XLogP17.65
TPSA65.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.15
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328849
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
2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 146602391
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)indeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile
CID 121328868
2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 155451089
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile (CID 121329269) is 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c4cc(N(c5ccccc5)c5ccccc5)ccc4n(-c4cc(C#N)c(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)cc4C#N)c3cc21.
What is the InChIKey of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The InChIKey is FXYXNNRYNQPPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N6/c1-69(2)58-26-14-11-23-51(58)54-39-56-55-37-48(72(46-18-5-3-6-19-46)47-20-7-4-8-21-47)30-33-62(55)75(67(56)40-59(54)69)66-36-44(41-70)65(35-45(66)42-71)74-63-34-31-49(38-57(63)68-50-22-10-9-17-43(50)29-32-64(68)74)73-60-27-15-12-24-52(60)53-25-13-16-28-61(53)73/h3-40H,1-2H3.
What are the key properties of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile has a molecular weight of 957.15 g/mol, XLogP of 17.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121329269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).