2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile

C48H31N5 — CID 155417171

IUPAC2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4c(ccc32)C=CCC4)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)c1c(n3-c2ccccc2)C=CCC1
InChIInChI=1S/C48H31N5/c49-28-31-25-45(32(29-50)24-44(31)52-42-21-11-8-18-37(42)48-34-15-5-4-12-30(34)22-23-43(48)52)53-41-20-10-7-17-36(41)39-26-46-38(27-47(39)53)35-16-6-9-19-40(35)51(46)33-13-2-1-3-14-33/h1-4,7-14,17-27H,5-6,15-16H2
InChIKeyKWRCZDIJDGGDRJ-UHFFFAOYSA-N
MW677.81 g/mol
LogP11.49
Rot. Bonds3

About 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile

2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile (PubChem CID 155417171) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
PubChem CID155417171
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4c(ccc32)C=CCC4)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)c1c(n3-c2ccccc2)C=CCC1
InChIInChI=1S/C48H31N5/c49-28-31-25-45(32(29-50)24-44(31)52-42-21-11-8-18-37(42)48-34-15-5-4-12-30(34)22-23-43(48)52)53-41-20-10-7-17-36(41)39-26-46-38(27-47(39)53)35-16-6-9-19-40(35)51(46)33-13-2-1-3-14-33/h1-4,7-14,17-27H,5-6,15-16H2
InChIKeyKWRCZDIJDGGDRJ-UHFFFAOYSA-N
XLogP11.49
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diphenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(9-phenyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 163897898
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155086566
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146580320
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile (CID 155417171) is 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3c4c(ccc32)C=CCC4)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)c1c(n3-c2ccccc2)C=CCC1.
What is the InChIKey of 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The InChIKey is KWRCZDIJDGGDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5/c49-28-31-25-45(32(29-50)24-44(31)52-42-21-11-8-18-37(42)48-34-15-5-4-12-30(34)22-23-43(48)52)53-41-20-10-7-17-36(41)39-26-46-38(27-47(39)53)35-16-6-9-19-40(35)51(46)33-13-2-1-3-14-33/h1-4,7-14,17-27H,5-6,15-16H2.
What are the key properties of 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile has a molecular weight of 677.81 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 155417171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).