5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile

C60H35N5 — CID 121324579

IUPAC5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1C#N
InChIInChI=1S/C60H35N5/c61-36-43-31-45(35-59(52(43)37-62)65-55-27-24-41(38-13-3-1-4-14-38)32-49(55)50-33-42(25-28-56(50)65)39-15-5-2-6-16-39)64-57-30-26-44(34-51(57)60-46-18-8-7-17-40(46)23-29-58(60)64)63-53-21-11-9-19-47(53)48-20-10-12-22-54(48)63/h1-35H
InChIKeyZPGJAERVROXJKL-UHFFFAOYSA-N
MW825.98 g/mol
LogP15.21
Rot. Bonds5

About 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile

5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile (PubChem CID 121324579) has the molecular formula C60H35N5 and a molecular weight of 825.98 g/mol. Its IUPAC name is 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
PubChem CID121324579
Molecular FormulaC60H35N5
Molecular Weight825.98 g/mol
Exact Mass825.29
IUPAC Name5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1C#N
InChIInChI=1S/C60H35N5/c61-36-43-31-45(35-59(52(43)37-62)65-55-27-24-41(38-13-3-1-4-14-38)32-49(55)50-33-42(25-28-56(50)65)39-15-5-2-6-16-39)64-57-30-26-44(34-51(57)60-46-18-8-7-17-40(46)23-29-58(60)64)63-53-21-11-9-19-47(53)48-20-10-12-22-54(48)63/h1-35H
InChIKeyZPGJAERVROXJKL-UHFFFAOYSA-N
XLogP15.21
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.98
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 153462349
2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155417153
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
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 126734578
4-(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)-3-[3-[7-(2-carbazol-9-yl-3,4-dicyanophenyl)benzo[c]carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 155450666
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
4-benzo[c]carbazol-7-yl-5-isocyano-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 153462299
5-isocyano-2,4-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462263
3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 121307289
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518

Frequently Asked Questions

What is the IUPAC name of 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile (CID 121324579) is 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile is N#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1C#N.
What is the InChIKey of 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile?
The InChIKey is ZPGJAERVROXJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N5/c61-36-43-31-45(35-59(52(43)37-62)65-55-27-24-41(38-13-3-1-4-14-38)32-49(55)50-33-42(25-28-56(50)65)39-15-5-2-6-16-39)64-57-30-26-44(34-51(57)60-46-18-8-7-17-40(46)23-29-58(60)64)63-53-21-11-9-19-47(53)48-20-10-12-22-54(48)63/h1-35H.
What are the key properties of 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile?
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile has a molecular weight of 825.98 g/mol, XLogP of 15.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 121324579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).