2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile

C57H35N5 — CID 121328849

IUPAC2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1cc(C#N)c(-n2c3ccccc3c3c4ccccc4ccc32)cc1C#N
InChIInChI=1S/C57H35N5/c1-57(2)46-19-9-5-15-39(46)43-31-55-45(30-47(43)57)44-29-37(60-48-20-10-6-16-40(48)41-17-7-11-21-49(41)60)24-26-51(44)62(55)54-28-35(32-58)53(27-36(54)33-59)61-50-22-12-8-18-42(50)56-38-14-4-3-13-34(38)23-25-52(56)61/h3-31H,1-2H3
InChIKeyIXNHADXNQAZGMJ-UHFFFAOYSA-N
MW789.94 g/mol
LogP14.18
Rot. Bonds3

About 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile

2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile (PubChem CID 121328849) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
PubChem CID121328849
Molecular FormulaC57H35N5
Molecular Weight789.94 g/mol
Exact Mass789.29
IUPAC Name2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1cc(C#N)c(-n2c3ccccc3c3c4ccccc4ccc32)cc1C#N
InChIInChI=1S/C57H35N5/c1-57(2)46-19-9-5-15-39(46)43-31-55-45(30-47(43)57)44-29-37(60-48-20-10-6-16-40(48)41-17-7-11-21-49(41)60)24-26-51(44)62(55)54-28-35(32-58)53(27-36(54)33-59)61-50-22-12-8-18-42(50)56-38-14-4-3-13-34(38)23-25-52(56)61/h3-31H,1-2H3
InChIKeyIXNHADXNQAZGMJ-UHFFFAOYSA-N
XLogP14.18
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.94
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-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
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole
CID 118502163
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
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
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
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile
CID 155357389
2,5-bis[7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121328601

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 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) is 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1cc(C#N)c(-n2c3ccccc3c3c4ccccc4ccc32)cc1C#N.
What is the InChIKey of 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The InChIKey is IXNHADXNQAZGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5/c1-57(2)46-19-9-5-15-39(46)43-31-55-45(30-47(43)57)44-29-37(60-48-20-10-6-16-40(48)41-17-7-11-21-49(41)60)24-26-51(44)62(55)54-28-35(32-58)53(27-36(54)33-59)61-50-22-12-8-18-42(50)56-38-14-4-3-13-34(38)23-25-52(56)61/h3-31H,1-2H3.
What are the key properties of 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile has a molecular weight of 789.94 g/mol, XLogP of 14.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121328849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).