CID 140795127

C30H19N2 — CID 140795127

IUPAC
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4[N]5)ccc32)cc1
InChIInChI=1S/C30H19N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28/h1-19H
InChIKeyRFHKUNXIJOZUMW-UHFFFAOYSA-N
MW407.50 g/mol
LogP8.00
Rot. Bonds2

About CID 140795127

CID 140795127 (PubChem CID 140795127) has the molecular formula C30H19N2 and a molecular weight of 407.50 g/mol.

Molecular Properties

Compound NameCID 140795127
PubChem CID140795127
Molecular FormulaC30H19N2
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC Name
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4[N]5)ccc32)cc1
InChIInChI=1S/C30H19N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28/h1-19H
InChIKeyRFHKUNXIJOZUMW-UHFFFAOYSA-N
XLogP8.00
TPSA19.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 140795127 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 140795127?
The IUPAC name of CID 140795127 (CID 140795127) is not available.
What is the SMILES notation for CID 140795127?
The canonical SMILES for CID 140795127 is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4[N]5)ccc32)cc1.
What is the InChIKey of CID 140795127?
The InChIKey is RFHKUNXIJOZUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28/h1-19H.
What are the key properties of CID 140795127?
CID 140795127 has a molecular weight of 407.50 g/mol, XLogP of 8.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140795127 is sourced from PubChem (CID 140795127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).