6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole

C39H25N3 — CID 129221536

IUPAC6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)cc3c3cccnc32)cc1
InChIInChI=1S/C39H25N3/c1-2-12-29(13-3-1)42-37-22-20-28(25-35(37)34-17-9-23-40-39(34)42)31-15-8-16-33-32-14-6-7-18-36(32)41(38(31)33)30-21-19-26-10-4-5-11-27(26)24-30/h1-25H
InChIKeyRVKLLGZAGZOVLP-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.10
Rot. Bonds3

About 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole

6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole (PubChem CID 129221536) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
PubChem CID129221536
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)cc3c3cccnc32)cc1
InChIInChI=1S/C39H25N3/c1-2-12-29(13-3-1)42-37-22-20-28(25-35(37)34-17-9-23-40-39(34)42)31-15-8-16-33-32-14-6-7-18-36(32)41(38(31)33)30-21-19-26-10-4-5-11-27(26)24-30/h1-25H
InChIKeyRVKLLGZAGZOVLP-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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Frequently Asked Questions

What is the IUPAC name of 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole (CID 129221536) is 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole is c1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)cc3c3cccnc32)cc1.
What is the InChIKey of 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole?
The InChIKey is RVKLLGZAGZOVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-12-29(13-3-1)42-37-22-20-28(25-35(37)34-17-9-23-40-39(34)42)31-15-8-16-33-32-14-6-7-18-36(32)41(38(31)33)30-21-19-26-10-4-5-11-27(26)24-30/h1-25H.
What are the key properties of 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole?
6-(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 6-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 129221536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).