1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole

C44H30N2 — CID 126561134

IUPAC1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(C2=Nc3cc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4cc3C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H30N2/c1-5-16-31(17-6-1)33-20-15-25-36(28-33)46-41-27-14-13-26-37(41)38-29-40-39(30-42(38)46)44(34-21-9-3-10-22-34,35-23-11-4-12-24-35)43(45-40)32-18-7-2-8-19-32/h1-30H
InChIKeyRYNFYZRHNMJRCN-UHFFFAOYSA-N
MW586.74 g/mol
LogP10.92
Rot. Bonds5

About 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole

1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole (PubChem CID 126561134) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
PubChem CID126561134
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(C2=Nc3cc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4cc3C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H30N2/c1-5-16-31(17-6-1)33-20-15-25-36(28-33)46-41-27-14-13-26-37(41)38-29-40-39(30-42(38)46)44(34-21-9-3-10-22-34,35-23-11-4-12-24-35)43(45-40)32-18-7-2-8-19-32/h1-30H
InChIKeyRYNFYZRHNMJRCN-UHFFFAOYSA-N
XLogP10.92
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-9-ethylcarbazole
CID 8588
9-Phenylcarbazole
CID 70851
1,2-Diphenyl-1H-indole
CID 87638
2-tert-butyl-9H-carbazole
CID 12462654
N,9-dimethyl-N-(2-methylquinolin-4-yl)carbazol-3-amine
CID 146506866
9-(9H-Carbazol-9-ylmethyl)-9H-carbazole
CID 231656
4-(9H-Carbazol-9-yl)aniline
CID 621047
(3E)-2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methylidene]indole
CID 5762378
(9-Benzyl-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethyl)-dimethyl-amine
CID 21514234
1,2-Diphenyltryptamine
CID 120067
N-Benzylcarbazole
CID 146485
5,11-Dihydroindolo[3,2-b]carbazole
CID 95838

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole?
The IUPAC name of 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole (CID 126561134) is 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole?
The canonical SMILES for 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole is c1ccc(C2=Nc3cc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4cc3C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole?
The InChIKey is RYNFYZRHNMJRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-5-16-31(17-6-1)33-20-15-25-36(28-33)46-41-27-14-13-26-37(41)38-29-40-39(30-42(38)46)44(34-21-9-3-10-22-34,35-23-11-4-12-24-35)43(45-40)32-18-7-2-8-19-32/h1-30H.
What are the key properties of 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole?
1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole has a molecular weight of 586.74 g/mol, XLogP of 10.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 126561134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).