11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole

C43H30N4 — CID 163989198

IUPAC11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole
SMILESC1=C(c2ccc3c(ccc4c5ccc(-c6ccc(-c7cccnc7)cc6)cc5n(-c5ccccc5)c34)c2)C=C(c2ccccn2)CN1
InChIInChI=1S/C43H30N4/c1-2-8-37(9-3-1)47-42-25-32(29-11-13-30(14-12-29)34-7-6-21-44-26-34)16-19-39(42)40-20-17-33-23-31(15-18-38(33)43(40)47)35-24-36(28-45-27-35)41-10-4-5-22-46-41/h1-27,45H,28H2
InChIKeyTZCFMMUIVPNHBM-UHFFFAOYSA-N
MW602.74 g/mol
LogP10.09
Rot. Bonds5

About 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole

11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole (PubChem CID 163989198) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole
PubChem CID163989198
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC Name11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole
SMILESC1=C(c2ccc3c(ccc4c5ccc(-c6ccc(-c7cccnc7)cc6)cc5n(-c5ccccc5)c34)c2)C=C(c2ccccn2)CN1
InChIInChI=1S/C43H30N4/c1-2-8-37(9-3-1)47-42-25-32(29-11-13-30(14-12-29)34-7-6-21-44-26-34)16-19-39(42)40-20-17-33-23-31(15-18-38(33)43(40)47)35-24-36(28-45-27-35)41-10-4-5-22-46-41/h1-27,45H,28H2
InChIKeyTZCFMMUIVPNHBM-UHFFFAOYSA-N
XLogP10.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[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

11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
CID 148690574
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole
CID 146709956
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
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
2-isocyano-9-phenyl-7-(7-phenylpyren-2-yl)carbazole;2-isocyano-9-phenyl-7-pyren-2-ylcarbazole;2-isocyano-9-phenyl-7-(7-pyridin-3-ylpyren-2-yl)carbazole
CID 160942314
9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole
CID 163658571
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 157121203
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[3-[3-phenyl-10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
CID 158885714
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole?
The IUPAC name of 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole (CID 163989198) is 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole.
What is the SMILES notation for 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole?
The canonical SMILES for 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole is C1=C(c2ccc3c(ccc4c5ccc(-c6ccc(-c7cccnc7)cc6)cc5n(-c5ccccc5)c34)c2)C=C(c2ccccn2)CN1.
What is the InChIKey of 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole?
The InChIKey is TZCFMMUIVPNHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4/c1-2-8-37(9-3-1)47-42-25-32(29-11-13-30(14-12-29)34-7-6-21-44-26-34)16-19-39(42)40-20-17-33-23-31(15-18-38(33)43(40)47)35-24-36(28-45-27-35)41-10-4-5-22-46-41/h1-27,45H,28H2.
What are the key properties of 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole?
11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole has a molecular weight of 602.74 g/mol, XLogP of 10.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole is sourced from PubChem (CID 163989198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).