5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole

C39H25N3 — CID 118587169

IUPAC5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole
SMILESc1ccc(-n2c3cnccc3c3c(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cccc32)cc1
InChIInChI=1S/C39H25N3/c1-2-11-29(12-3-1)41-36-16-8-14-31(39(36)34-21-22-40-25-38(34)41)28-18-20-33-32-13-6-7-15-35(32)42(37(33)24-28)30-19-17-26-9-4-5-10-27(26)23-30/h1-25H
InChIKeyIDIIBJJHDLVHGM-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.10
Rot. Bonds3

About 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole

5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole (PubChem CID 118587169) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole.

Molecular Properties

Compound Name5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole
PubChem CID118587169
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole
SMILESc1ccc(-n2c3cnccc3c3c(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cccc32)cc1
InChIInChI=1S/C39H25N3/c1-2-11-29(12-3-1)41-36-16-8-14-31(39(36)34-21-22-40-25-38(34)41)28-18-20-33-32-13-6-7-15-35(32)42(37(33)24-28)30-19-17-26-9-4-5-10-27(26)23-30/h1-25H
InChIKeyIDIIBJJHDLVHGM-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

7-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylpyrido[3,4-b]indole
CID 118587041
9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[4,3-b]indole;5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[4,3-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[4,3-b]indole
CID 158801479
7-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[3,4-b]indole
CID 129221374
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-phenylpyrido[4,3-b]indole;7-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylpyrido[4,3-b]indole;5-phenyl-7-(9-phenylcarbazol-4-yl)pyrido[4,3-b]indole;5-phenyl-7-[9-(4-phenylphenyl)carbazol-4-yl]pyrido[4,3-b]indole
CID 160562626
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[4,3-b]indole
CID 118587991
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylpyrido[3,4-b]indole;9-phenyl-6-[9-(4-phenylphenyl)carbazol-4-yl]pyrido[3,4-b]indole
CID 161163383
N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
CID 134369799
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-7-phenylbenzo[c]carbazole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylpyrido[3,4-b]indole
CID 160795339

Frequently Asked Questions

What is the IUPAC name of 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole?
The IUPAC name of 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole (CID 118587169) is 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole.
What is the SMILES notation for 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole?
The canonical SMILES for 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole is c1ccc(-n2c3cnccc3c3c(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cccc32)cc1.
What is the InChIKey of 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole?
The InChIKey is IDIIBJJHDLVHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-11-29(12-3-1)41-36-16-8-14-31(39(36)34-21-22-40-25-38(34)41)28-18-20-33-32-13-6-7-15-35(32)42(37(33)24-28)30-19-17-26-9-4-5-10-27(26)23-30/h1-25H.
What are the key properties of 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole?
5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-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 5-(9-naphthalen-2-ylcarbazol-2-yl)-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 118587169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).