1-naphthalen-2-yl-9H-pyrido[3,4-b]indole

C21H14N2 — CID 91398719

IUPAC1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
SMILESc1ccc2cc(-c3nccc4c3[nH]c3ccccc34)ccc2c1
InChIInChI=1S/C21H14N2/c1-2-6-15-13-16(10-9-14(15)5-1)20-21-18(11-12-22-20)17-7-3-4-8-19(17)23-21/h1-13,23H
InChIKeyRBKLIRZVPLFTIV-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.54
Rot. Bonds1

About 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole

1-naphthalen-2-yl-9H-pyrido[3,4-b]indole (PubChem CID 91398719) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
PubChem CID91398719
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
SMILESc1ccc2cc(-c3nccc4c3[nH]c3ccccc34)ccc2c1
InChIInChI=1S/C21H14N2/c1-2-6-15-13-16(10-9-14(15)5-1)20-21-18(11-12-22-20)17-7-3-4-8-19(17)23-21/h1-13,23H
InChIKeyRBKLIRZVPLFTIV-UHFFFAOYSA-N
XLogP5.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9H-pyrido[3,4-b]indol-1-yl)phenol
CID 46244084
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
CID 175790323
(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946438
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
CID 132601824
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
CID 70800060
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253
1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135900483
1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole (CID 91398719) is 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole is c1ccc2cc(-c3nccc4c3[nH]c3ccccc34)ccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole?
The InChIKey is RBKLIRZVPLFTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-2-6-15-13-16(10-9-14(15)5-1)20-21-18(11-12-22-20)17-7-3-4-8-19(17)23-21/h1-13,23H.
What are the key properties of 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole?
1-naphthalen-2-yl-9H-pyrido[3,4-b]indole has a molecular weight of 294.36 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 91398719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).