2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole

C42H26N4 — CID 71478849

IUPAC2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole
SMILESc1ccc2c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-c7nccc8ccccc78)cc65)nc43)cccc2c1
InChIInChI=1S/C42H26N4/c1-3-13-30-27(10-1)12-9-19-36(30)46-38-18-8-6-16-33(38)35-22-23-40(44-42(35)46)45-37-17-7-5-15-32(37)34-21-20-29(26-39(34)45)41-31-14-4-2-11-28(31)24-25-43-41/h1-26H
InChIKeyRODVWYPYQFYDLA-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.64
Rot. Bonds3

About 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole

2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole (PubChem CID 71478849) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole.

Molecular Properties

Compound Name2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole
PubChem CID71478849
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole
SMILESc1ccc2c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-c7nccc8ccccc78)cc65)nc43)cccc2c1
InChIInChI=1S/C42H26N4/c1-3-13-30-27(10-1)12-9-19-36(30)46-38-18-8-6-16-33(38)35-22-23-40(44-42(35)46)45-37-17-7-5-15-32(37)34-21-20-29(26-39(34)45)41-31-14-4-2-11-28(31)24-25-43-41/h1-26H
InChIKeyRODVWYPYQFYDLA-UHFFFAOYSA-N
XLogP10.64
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole 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

9-pyridin-2-yl-2-(2-pyridin-2-ylcarbazol-9-yl)pyrido[2,3-b]indole
CID 155655282
2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol
CID 164823525
9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
CID 140587089
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
10-isoquinolin-1-yl-7-pyridin-2-ylbenzo[c]carbazole
CID 90249840
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212
2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064038
10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole
CID 129290243

Frequently Asked Questions

What is the IUPAC name of 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole?
The IUPAC name of 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole (CID 71478849) is 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole.
What is the SMILES notation for 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole?
The canonical SMILES for 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole is c1ccc2c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-c7nccc8ccccc78)cc65)nc43)cccc2c1.
What is the InChIKey of 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole?
The InChIKey is RODVWYPYQFYDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-3-13-30-27(10-1)12-9-19-36(30)46-38-18-8-6-16-33(38)35-22-23-40(44-42(35)46)45-37-17-7-5-15-32(37)34-21-20-29(26-39(34)45)41-31-14-4-2-11-28(31)24-25-43-41/h1-26H.
What are the key properties of 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole?
2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole has a molecular weight of 586.70 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole is sourced from PubChem (CID 71478849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).