3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole

C62H43BrN6 — CID 161092748

IUPAC3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole
SMILESBrc1ccc(-c2cccnc2)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6cccnc6)cc5)c4c32)cc1
InChIInChI=1S/C31H21N3.C20H14N2.C11H8BrN/c1-2-8-25(9-3-1)33-20-18-23-14-17-28-27-10-4-5-11-29(27)34(31(28)30(23)33)26-15-12-22(13-16-26)24-7-6-19-32-21-24;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22;12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-21H;1-13,21H;1-8H
InChIKeyUHJXYRZFPVFKEN-UHFFFAOYSA-N
MW951.97 g/mol
LogP16.57
Rot. Bonds5

About 3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole

3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole (PubChem CID 161092748) has the molecular formula C62H43BrN6 and a molecular weight of 951.97 g/mol. Its IUPAC name is 3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole
PubChem CID161092748
Molecular FormulaC62H43BrN6
Molecular Weight951.97 g/mol
Exact Mass950.27
IUPAC Name3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole
SMILESBrc1ccc(-c2cccnc2)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6cccnc6)cc5)c4c32)cc1
InChIInChI=1S/C31H21N3.C20H14N2.C11H8BrN/c1-2-8-25(9-3-1)33-20-18-23-14-17-28-27-10-4-5-11-29(27)34(31(28)30(23)33)26-15-12-22(13-16-26)24-7-6-19-32-21-24;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22;12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-21H;1-13,21H;1-8H
InChIKeyUHJXYRZFPVFKEN-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;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-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

(4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole
CID 161358553
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
10-phenyl-1-(4-pyridin-2-ylphenyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(5-pyridin-3-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(5-pyridin-4-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole
CID 160977911
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223476
5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
CID 159527806
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
5-[6-(11H-benzo[a]carbazol-5-yl)naphthalen-2-yl]-11-phenylbenzo[a]carbazole;5-(11H-benzo[a]carbazol-5-yl)-11-(4-phenylphenyl)benzo[a]carbazole;5-[4-(11H-benzo[a]carbazol-5-yl)phenyl]-11-pyridin-3-ylbenzo[a]carbazole
CID 160956211
1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118317252
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
10-phenyl-1-(5-pyridin-4-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole
CID 123663832

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The IUPAC name of 3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole (CID 161092748) is 3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The canonical SMILES for 3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole is Brc1ccc(-c2cccnc2)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6cccnc6)cc5)c4c32)cc1.
What is the InChIKey of 3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The InChIKey is UHJXYRZFPVFKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3.C20H14N2.C11H8BrN/c1-2-8-25(9-3-1)33-20-18-23-14-17-28-27-10-4-5-11-29(27)34(31(28)30(23)33)26-15-12-22(13-16-26)24-7-6-19-32-21-24;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22;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;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole?
3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-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;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 161092748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).