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

C39H25N3 — CID 129221438

IUPAC2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)nc32)cc1
InChIInChI=1S/C39H25N3/c1-2-13-28(14-3-1)42-37-20-9-7-16-31(37)33-23-24-35(40-39(33)42)34-18-10-17-32-30-15-6-8-19-36(30)41(38(32)34)29-22-21-26-11-4-5-12-27(26)25-29/h1-25H
InChIKeyIJGYGIHFKRTGGR-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.10
Rot. Bonds3

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

2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole (PubChem CID 129221438) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
PubChem CID129221438
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)nc32)cc1
InChIInChI=1S/C39H25N3/c1-2-13-28(14-3-1)42-37-20-9-7-16-31(37)33-23-24-35(40-39(33)42)34-18-10-17-32-30-15-6-8-19-36(30)41(38(32)34)29-22-21-26-11-4-5-12-27(26)25-29/h1-25H
InChIKeyIJGYGIHFKRTGGR-UHFFFAOYSA-N
XLogP10.10
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole;7-(9-phenylcarbazol-1-yl)-5-(4-phenylquinazolin-2-yl)pyrido[3,2-b]indole;9-phenyl-2-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-phenyl-2-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 158782418
1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
CID 71127177
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
9-(9-naphthalen-2-ylcarbazol-1-yl)-5-phenylpyrido[3,2-b]indole
CID 129221541
8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole
CID 118587088
7-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[3,4-b]indole
CID 129221374
9-naphthalen-2-yl-N-(2-phenylphenyl)carbazol-1-amine
CID 176762124
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
5-(9-naphthalen-2-ylcarbazol-4-yl)-12-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 165021173
12-[7-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[7-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-2-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indolo[2,3-a]carbazole
CID 159811972
9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole
CID 156577794
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621065

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole (CID 129221438) is 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)nc32)cc1.
What is the InChIKey of 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole?
The InChIKey is IJGYGIHFKRTGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-13-28(14-3-1)42-37-20-9-7-16-31(37)33-23-24-35(40-39(33)42)34-18-10-17-32-30-15-6-8-19-36(30)41(38(32)34)29-22-21-26-11-4-5-12-27(26)25-29/h1-25H.
What are the key properties of 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole?
2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole has a molecular weight of 535.65 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 129221438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).