4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile

C62H37N5 — CID 140903284

IUPAC4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccccc3)cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2-c2ccccc2)cc1C#N
InChIInChI=1S/C62H37N5/c63-38-43-29-28-42(34-44(43)39-64)60-52(40-16-4-1-5-17-40)36-47(37-53(60)41-18-6-2-7-19-41)67-58-32-30-46(66-55-25-13-10-22-48(55)49-23-11-14-26-56(49)66)35-54(58)50-31-33-59-61(62(50)67)51-24-12-15-27-57(51)65(59)45-20-8-3-9-21-45/h1-37H
InChIKeyMOHLLQAQDOGWSG-UHFFFAOYSA-N
MW852.01 g/mol
LogP15.72
Rot. Bonds6

About 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile

4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile (PubChem CID 140903284) has the molecular formula C62H37N5 and a molecular weight of 852.01 g/mol. Its IUPAC name is 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile
PubChem CID140903284
Molecular FormulaC62H37N5
Molecular Weight852.01 g/mol
Exact Mass851.30
IUPAC Name4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccccc3)cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2-c2ccccc2)cc1C#N
InChIInChI=1S/C62H37N5/c63-38-43-29-28-42(34-44(43)39-64)60-52(40-16-4-1-5-17-40)36-47(37-53(60)41-18-6-2-7-19-41)67-58-32-30-46(66-55-25-13-10-22-48(55)49-23-11-14-26-56(49)66)35-54(58)50-31-33-59-61(62(50)67)51-24-12-15-27-57(51)65(59)45-20-8-3-9-21-45/h1-37H
InChIKeyMOHLLQAQDOGWSG-UHFFFAOYSA-N
XLogP15.72
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.01
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
CID 140903238
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875
2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291167
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903115
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile (CID 140903284) is 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile is N#Cc1ccc(-c2c(-c3ccccc3)cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2-c2ccccc2)cc1C#N.
What is the InChIKey of 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile?
The InChIKey is MOHLLQAQDOGWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N5/c63-38-43-29-28-42(34-44(43)39-64)60-52(40-16-4-1-5-17-40)36-47(37-53(60)41-18-6-2-7-19-41)67-58-32-30-46(66-55-25-13-10-22-48(55)49-23-11-14-26-56(49)66)35-54(58)50-31-33-59-61(62(50)67)51-24-12-15-27-57(51)65(59)45-20-8-3-9-21-45/h1-37H.
What are the key properties of 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile?
4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile has a molecular weight of 852.01 g/mol, XLogP of 15.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 140903284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).