(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol

C22H16N2O — CID 72946438

IUPAC(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C22H16N2O/c25-13-17-12-19-18-7-3-4-8-20(18)24-22(19)21(23-17)16-10-9-14-5-1-2-6-15(14)11-16/h1-12,24-25H,13H2
InChIKeyLHTXSGYVZKWUCG-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.03
Rot. Bonds2

About (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol

(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol (PubChem CID 72946438) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol.

Molecular Properties

Compound Name(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
PubChem CID72946438
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C22H16N2O/c25-13-17-12-19-18-7-3-4-8-20(18)24-22(19)21(23-17)16-10-9-14-5-1-2-6-15(14)11-16/h1-12,24-25H,13H2
InChIKeyLHTXSGYVZKWUCG-UHFFFAOYSA-N
XLogP5.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 130269845
(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946442
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 10686284
1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
CID 91398719
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
CID 122185830
1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135900483
3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 135059722
N',N'-bis[[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]butane-1,4-diamine
CID 141373733
benzyl N-[[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]carbamodithioate
CID 122185846
prop-2-enyl N-[[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]carbamodithioate
CID 122185839
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
(E)-N-[[1-(4-hydroxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 137243933

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The IUPAC name of (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol (CID 72946438) is (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol.
What is the SMILES notation for (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The canonical SMILES for (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol is OCc1cc2c([nH]c3ccccc32)c(-c2ccc3ccccc3c2)n1.
What is the InChIKey of (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The InChIKey is LHTXSGYVZKWUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-13-17-12-19-18-7-3-4-8-20(18)24-22(19)21(23-17)16-10-9-14-5-1-2-6-15(14)11-16/h1-12,24-25H,13H2.
What are the key properties of (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol?
(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol has a molecular weight of 324.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol is sourced from PubChem (CID 72946438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).