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

C43H28N4 — CID 148690574

IUPAC11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc(-c5ccncc5)cc4)ccc3c3ccc4cc(-c5cncc(-c6ccccn6)c5)ccc4c32)cc1
InChIInChI=1S/C43H28N4/c1-2-6-37(7-3-1)47-42-26-33(30-11-9-29(10-12-30)31-19-22-44-23-20-31)14-17-39(42)40-18-15-34-24-32(13-16-38(34)43(40)47)35-25-36(28-45-27-35)41-8-4-5-21-46-41/h1-28H
InChIKeyNTJYFNBOPXWGHT-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.79
Rot. Bonds5

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

11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole (PubChem CID 148690574) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
PubChem CID148690574
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc(-c5ccncc5)cc4)ccc3c3ccc4cc(-c5cncc(-c6ccccn6)c5)ccc4c32)cc1
InChIInChI=1S/C43H28N4/c1-2-6-37(7-3-1)47-42-26-33(30-11-9-29(10-12-30)31-19-22-44-23-20-31)14-17-39(42)40-18-15-34-24-32(13-16-38(34)43(40)47)35-25-36(28-45-27-35)41-8-4-5-21-46-41/h1-28H
InChIKeyNTJYFNBOPXWGHT-UHFFFAOYSA-N
XLogP10.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)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-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole
CID 163989198
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene
CID 134184019
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
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-[3-[3-phenyl-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
CID 161305445
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(3-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 160982500
18-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 163803926
3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 147270263

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole?
The IUPAC name of 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole (CID 148690574) is 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole.
What is the SMILES notation for 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole?
The canonical SMILES for 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole is c1ccc(-n2c3cc(-c4ccc(-c5ccncc5)cc4)ccc3c3ccc4cc(-c5cncc(-c6ccccn6)c5)ccc4c32)cc1.
What is the InChIKey of 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole?
The InChIKey is NTJYFNBOPXWGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-2-6-37(7-3-1)47-42-26-33(30-11-9-29(10-12-30)31-19-22-44-23-20-31)14-17-39(42)40-18-15-34-24-32(13-16-38(34)43(40)47)35-25-36(28-45-27-35)41-8-4-5-21-46-41/h1-28H.
What are the key properties of 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole?
11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole has a molecular weight of 600.73 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole is sourced from PubChem (CID 148690574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).