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

C21H14N2O — CID 137276980

IUPAC1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1ccc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C21H14N2O/c24-19-12-9-13-5-1-2-6-14(13)20(19)18-11-10-16-15-7-3-4-8-17(15)22-21(16)23-18/h1-12,24H,(H,22,23)
InChIKeyNTXSWDHLJWJVAI-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.24
Rot. Bonds1

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

1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol (PubChem CID 137276980) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol
PubChem CID137276980
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1ccc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C21H14N2O/c24-19-12-9-13-5-1-2-6-14(13)20(19)18-11-10-16-15-7-3-4-8-17(15)22-21(16)23-18/h1-12,24H,(H,22,23)
InChIKeyNTXSWDHLJWJVAI-UHFFFAOYSA-N
XLogP5.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
CID 137276987
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole
CID 176621868
2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol
CID 151564161
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile
CID 135080221
5-(9H-pyrido[2,3-b]indol-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 130353312
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine
CID 156772815

Frequently Asked Questions

What is the IUPAC name of 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol?
The IUPAC name of 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol (CID 137276980) is 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1ccc2c(n1)[nH]c1ccccc12.
What is the InChIKey of 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol?
The InChIKey is NTXSWDHLJWJVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c24-19-12-9-13-5-1-2-6-14(13)20(19)18-11-10-16-15-7-3-4-8-17(15)22-21(16)23-18/h1-12,24H,(H,22,23).
What are the key properties of 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol?
1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol has a molecular weight of 310.36 g/mol, XLogP of 5.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 137276980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).