CID 58651990

C16H12N — CID 58651990

IUPAC—
SMILES[CH][CH]c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H12N/c1-2-14-12-13-8-6-7-11-16(13)17(14)15-9-4-3-5-10-15/h1-12H
InChIKeyPTXGPNNXVNCLCZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.89
Rot. Bonds2

About CID 58651990

CID 58651990 (PubChem CID 58651990) has the molecular formula C16H12N and a molecular weight of 218.28 g/mol.

Molecular Properties

Compound NameCID 58651990
PubChem CID58651990
Molecular FormulaC16H12N
Molecular Weight218.28 g/mol
Exact Mass218.10
IUPAC Name—
SMILES[CH][CH]c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H12N/c1-2-14-12-13-8-6-7-11-16(13)17(14)15-9-4-3-5-10-15/h1-12H
InChIKeyPTXGPNNXVNCLCZ-UHFFFAOYSA-N
XLogP3.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 58651990 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

1-(4-methoxyphenyl)indole-2-carbaldehyde
CID 139887469
ditert-butyl-(1-phenylindol-2-yl)phosphane
CID 11175133
5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde
CID 123494095
3-(methylsulfanylmethyl)-1-phenylquinolin-2-one
CID 19021643
N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
tert-butyl-(1-phenylindol-2-yl)phosphinic acid
CID 139167073
3-(1-phenylindol-2-yl)-9H-carbazole
CID 142748712
2-[4-[diphenyl-[4-(3-phenylnaphthalen-2-yl)phenyl]methyl]phenyl]-1-phenylindole
CID 142142857
3-(methylsulfinylmethyl)-1-phenylquinolin-2-one
CID 19021632
1-(4-bromophenyl)-2-methylindole
CID 22951419
1,2-bis(4-methylphenyl)indole
CID 151814608
1-(furan-2-yl)indole-2-carbaldehyde
CID 139887499

Frequently Asked Questions

What is the IUPAC name of CID 58651990?
The IUPAC name of CID 58651990 (CID 58651990) is not available.
What is the SMILES notation for CID 58651990?
The canonical SMILES for CID 58651990 is [CH][CH]c1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of CID 58651990?
The InChIKey is PTXGPNNXVNCLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N/c1-2-14-12-13-8-6-7-11-16(13)17(14)15-9-4-3-5-10-15/h1-12H.
What are the key properties of CID 58651990?
CID 58651990 has a molecular weight of 218.28 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58651990 is sourced from PubChem (CID 58651990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).