3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole

C43H29N3 — CID 147334824

IUPAC3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
SMILESCc1ncccc1-c1ccc(-c2ccc3c(ccc4c5ccc(-c6ccc7ccccc7c6)cc5n(-c5ccccc5)c34)c2)nc1
InChIInChI=1S/C43H29N3/c1-28-37(12-7-23-44-28)35-18-22-41(45-27-35)34-17-19-38-33(25-34)16-21-40-39-20-15-32(31-14-13-29-8-5-6-9-30(29)24-31)26-42(39)46(43(38)40)36-10-3-2-4-11-36/h2-27H,1H3
InChIKeyDCIWTCULIMMZPO-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.19
Rot. Bonds4

About 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole

3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole (PubChem CID 147334824) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
PubChem CID147334824
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
SMILESCc1ncccc1-c1ccc(-c2ccc3c(ccc4c5ccc(-c6ccc7ccccc7c6)cc5n(-c5ccccc5)c34)c2)nc1
InChIInChI=1S/C43H29N3/c1-28-37(12-7-23-44-28)35-18-22-41(45-27-35)34-17-19-38-33(25-34)16-21-40-39-20-15-32(31-14-13-29-8-5-6-9-30(29)24-31)26-42(39)46(43(38)40)36-10-3-2-4-11-36/h2-27H,1H3
InChIKeyDCIWTCULIMMZPO-UHFFFAOYSA-N
XLogP11.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[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
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
CID 148690574
9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole
CID 163641562
3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 147270263
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
6-(5-naphthalen-1-yl-2-pyridinyl)-9-phenylpyrido[2,3-b]indole
CID 118403794
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
CID 142621940
3-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-1-phenyl-7-(5-pyridin-4-yl-2-pyridinyl)benzo[g]indole
CID 163911200
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
5-phenyl-3-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]benzo[b]carbazole
CID 153144473
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole?
The IUPAC name of 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole (CID 147334824) is 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole?
The canonical SMILES for 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole is Cc1ncccc1-c1ccc(-c2ccc3c(ccc4c5ccc(-c6ccc7ccccc7c6)cc5n(-c5ccccc5)c34)c2)nc1.
What is the InChIKey of 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole?
The InChIKey is DCIWTCULIMMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-28-37(12-7-23-44-28)35-18-22-41(45-27-35)34-17-19-38-33(25-34)16-21-40-39-20-15-32(31-14-13-29-8-5-6-9-30(29)24-31)26-42(39)46(43(38)40)36-10-3-2-4-11-36/h2-27H,1H3.
What are the key properties of 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole?
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole has a molecular weight of 587.73 g/mol, XLogP of 11.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 147334824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).