1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one

C47H31N3O — CID 155137930

IUPAC1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one
SMILESO=c1cc(-c2ccccc2)c2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2n1-c1ccccc1
InChIInChI=1S/C47H31N3O/c51-45-31-39(32-15-5-1-6-16-32)46-41-30-34(26-28-44(41)49(36-19-9-3-10-20-36)47(46)50(45)37-21-11-4-12-22-37)33-25-27-43-40(29-33)38-23-13-14-24-42(38)48(43)35-17-7-2-8-18-35/h1-31H
InChIKeyQJXNCBUEKNQZCV-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.37
Rot. Bonds5

About 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one

1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one (PubChem CID 155137930) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one
PubChem CID155137930
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one
SMILESO=c1cc(-c2ccccc2)c2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2n1-c1ccccc1
InChIInChI=1S/C47H31N3O/c51-45-31-39(32-15-5-1-6-16-32)46-41-30-34(26-28-44(41)49(36-19-9-3-10-20-36)47(46)50(45)37-21-11-4-12-22-37)33-25-27-43-40(29-33)38-23-13-14-24-42(38)48(43)35-17-7-2-8-18-35/h1-31H
InChIKeyQJXNCBUEKNQZCV-UHFFFAOYSA-N
XLogP11.37
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259

Frequently Asked Questions

What is the IUPAC name of 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one?
The IUPAC name of 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one (CID 155137930) is 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one.
What is the SMILES notation for 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one?
The canonical SMILES for 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one is O=c1cc(-c2ccccc2)c2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2n1-c1ccccc1.
What is the InChIKey of 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one?
The InChIKey is QJXNCBUEKNQZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c51-45-31-39(32-15-5-1-6-16-32)46-41-30-34(26-28-44(41)49(36-19-9-3-10-20-36)47(46)50(45)37-21-11-4-12-22-37)33-25-27-43-40(29-33)38-23-13-14-24-42(38)48(43)35-17-7-2-8-18-35/h1-31H.
What are the key properties of 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one?
1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one has a molecular weight of 653.79 g/mol, XLogP of 11.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9-triphenyl-6-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indol-2-one is sourced from PubChem (CID 155137930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).