3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile

C56H32N6 — CID 166572147

IUPAC3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1C#N
InChIInChI=1S/C56H32N6/c57-33-35-27-28-51(61-49-25-13-9-21-40(49)44-29-52-42(31-54(44)61)38-19-7-11-23-47(38)59(52)36-15-3-1-4-16-36)56(46(35)34-58)62-50-26-14-10-22-41(50)45-30-53-43(32-55(45)62)39-20-8-12-24-48(39)60(53)37-17-5-2-6-18-37/h1-32H
InChIKeyOPEHHTNBQYDGGS-UHFFFAOYSA-N
MW788.91 g/mol
LogP13.82
Rot. Bonds4

About 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile

3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile (PubChem CID 166572147) has the molecular formula C56H32N6 and a molecular weight of 788.91 g/mol. Its IUPAC name is 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile
PubChem CID166572147
Molecular FormulaC56H32N6
Molecular Weight788.91 g/mol
Exact Mass788.27
IUPAC Name3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1C#N
InChIInChI=1S/C56H32N6/c57-33-35-27-28-51(61-49-25-13-9-21-40(49)44-29-52-42(31-54(44)61)38-19-7-11-23-47(38)59(52)36-15-3-1-4-16-36)56(46(35)34-58)62-50-26-14-10-22-41(50)45-30-53-43(32-55(45)62)39-20-8-12-24-48(39)60(53)37-17-5-2-6-18-37/h1-32H
InChIKeyOPEHHTNBQYDGGS-UHFFFAOYSA-N
XLogP13.82
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.91
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-carbazol-9-yl-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile
CID 121324643
3,5-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572197
3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 134604425
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121329133
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
2-methyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418402
3-carbazol-9-yl-9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazole-2-carbonitrile
CID 154958579
3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 129291094
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile
CID 134604230

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile (CID 166572147) is 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1C#N.
What is the InChIKey of 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile?
The InChIKey is OPEHHTNBQYDGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6/c57-33-35-27-28-51(61-49-25-13-9-21-40(49)44-29-52-42(31-54(44)61)38-19-7-11-23-47(38)59(52)36-15-3-1-4-16-36)56(46(35)34-58)62-50-26-14-10-22-41(50)45-30-53-43(32-55(45)62)39-20-8-12-24-48(39)60(53)37-17-5-2-6-18-37/h1-32H.
What are the key properties of 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile?
3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile has a molecular weight of 788.91 g/mol, XLogP of 13.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 166572147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).