9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole

C43H31N3 — CID 163641562

IUPAC9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole
SMILESCC1=CC(c2ccc(-c3ccc4c5ccc6cc(-c7cccc8ccccc78)ccc6c5n(-c5ccccc5)c4c3)nc2)NC=C1
InChIInChI=1S/C43H31N3/c1-28-22-23-44-41(24-28)33-17-21-40(45-27-33)32-16-19-38-39-20-15-31-25-30(36-13-7-9-29-8-5-6-12-35(29)36)14-18-37(31)43(39)46(42(38)26-32)34-10-3-2-4-11-34/h2-27,41,44H,1H3
InChIKeyIERRUEGFCHMLDD-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.92
Rot. Bonds4

About 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole

9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole (PubChem CID 163641562) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole
PubChem CID163641562
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole
SMILESCC1=CC(c2ccc(-c3ccc4c5ccc6cc(-c7cccc8ccccc78)ccc6c5n(-c5ccccc5)c4c3)nc2)NC=C1
InChIInChI=1S/C43H31N3/c1-28-22-23-44-41(24-28)33-17-21-40(45-27-33)32-16-19-38-39-20-15-31-25-30(36-13-7-9-29-8-5-6-12-35(29)36)14-18-37(31)43(39)46(42(38)26-32)34-10-3-2-4-11-34/h2-27,41,44H,1H3
InChIKeyIERRUEGFCHMLDD-UHFFFAOYSA-N
XLogP10.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-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

3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
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
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
CID 142621940
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
8-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;9-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 161262150
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
11-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 130304461
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-1-yl)anthracen-1-yl]-9-phenylcarbazole;2-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole;3-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 160793440
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole?
The IUPAC name of 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole (CID 163641562) is 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole?
The canonical SMILES for 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole is CC1=CC(c2ccc(-c3ccc4c5ccc6cc(-c7cccc8ccccc78)ccc6c5n(-c5ccccc5)c4c3)nc2)NC=C1.
What is the InChIKey of 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole?
The InChIKey is IERRUEGFCHMLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-28-22-23-44-41(24-28)33-17-21-40(45-27-33)32-16-19-38-39-20-15-31-25-30(36-13-7-9-29-8-5-6-12-35(29)36)14-18-37(31)43(39)46(42(38)26-32)34-10-3-2-4-11-34/h2-27,41,44H,1H3.
What are the key properties of 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole?
9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole has a molecular weight of 589.74 g/mol, XLogP of 10.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 163641562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).