3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole

C62H43BrN6 — CID 157268120

IUPAC3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc(-c2cccnc2)cc1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5cccnc5)cc4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1
InChIInChI=1S/C31H21N3.C20H14N2.C11H8BrN/c1-2-8-24(9-3-1)33-20-18-28-29(33)17-16-27-26-10-4-5-11-30(26)34(31(27)28)25-14-12-22(13-15-25)23-7-6-19-32-21-23;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-21H;1-13,21H;1-8H
InChIKeyAYFNHNATTHIBFV-UHFFFAOYSA-N
MW951.97 g/mol
LogP16.57
Rot. Bonds5

About 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole

3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole (PubChem CID 157268120) has the molecular formula C62H43BrN6 and a molecular weight of 951.97 g/mol. Its IUPAC name is 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole
PubChem CID157268120
Molecular FormulaC62H43BrN6
Molecular Weight951.97 g/mol
Exact Mass950.27
IUPAC Name3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc(-c2cccnc2)cc1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5cccnc5)cc4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1
InChIInChI=1S/C31H21N3.C20H14N2.C11H8BrN/c1-2-8-24(9-3-1)33-20-18-28-29(33)17-16-27-26-10-4-5-11-30(26)34(31(27)28)25-14-12-22(13-15-25)23-7-6-19-32-21-23;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-21H;1-13,21H;1-8H
InChIKeyAYFNHNATTHIBFV-UHFFFAOYSA-N
XLogP16.57
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.97
LogP ≤ 516.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127036138
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685
5-(4-Bromophenyl)-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin
CID 135407394
3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326785
3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326786
3-[[6-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127035943
5,15-Bis(4-bromophenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 136726274
4-[4-[10-[4-(4-Aminophenyl)phenyl]-15,20-dipyridin-4-yl-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 137638477
5,15-Bis(4-bromophenyl)-10,20-bis(4-pyridin-4-ylphenyl)-21,23-dihydroporphyrin
CID 137645246
5,10-Bis(4-bromophenyl)-15,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 137648926
1-Methyl-2-[2-(5,10,15,20-tetraphenyl-22,24-dihydro-porphin-2-yl)-vinyl]-pyridinium
CID 135399836
1-Methyl-4-[2-(5,10,15,20-tetraphenyl-22,24-dihydro-porphin-2-yl)-vinyl]-pyridinium
CID 135524758

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole (CID 157268120) is 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole is Brc1ccc(-c2cccnc2)cc1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5cccnc5)cc4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1.
What is the InChIKey of 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is AYFNHNATTHIBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3.C20H14N2.C11H8BrN/c1-2-8-24(9-3-1)33-20-18-28-29(33)17-16-27-26-10-4-5-11-30(26)34(31(27)28)25-14-12-22(13-15-25)23-7-6-19-32-21-23;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-21H;1-13,21H;1-8H.
What are the key properties of 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 951.97 g/mol, XLogP of 16.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 157268120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).