CID 71561190

C30H23NO2 — CID 71561190

IUPAC—
SMILESCN1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C30H23NO2/c1-31-18-25(19-9-3-2-4-10-19)29(17-21-11-5-6-14-22(21)27(29)32)30(31)24-16-8-13-20-12-7-15-23(26(20)24)28(30)33/h2-16,25H,17-18H2,1H3/t25-,29+,30+/m1/s1
InChIKeyQNGSRZAVORFRJE-CPESWEKQSA-N
MW429.52 g/mol
LogP5.39
Rot. Bonds1

About CID 71561190

CID 71561190 (PubChem CID 71561190) has the molecular formula C30H23NO2 and a molecular weight of 429.52 g/mol.

Molecular Properties

Compound NameCID 71561190
PubChem CID71561190
Molecular FormulaC30H23NO2
Molecular Weight429.52 g/mol
Exact Mass429.17
IUPAC Name—
SMILESCN1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C30H23NO2/c1-31-18-25(19-9-3-2-4-10-19)29(17-21-11-5-6-14-22(21)27(29)32)30(31)24-16-8-13-20-12-7-15-23(26(20)24)28(30)33/h2-16,25H,17-18H2,1H3/t25-,29+,30+/m1/s1
InChIKeyQNGSRZAVORFRJE-CPESWEKQSA-N
XLogP5.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 71561190 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 71561190?
The IUPAC name of CID 71561190 (CID 71561190) is not available.
What is the SMILES notation for CID 71561190?
The canonical SMILES for CID 71561190 is CN1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13.
What is the InChIKey of CID 71561190?
The InChIKey is QNGSRZAVORFRJE-CPESWEKQSA-N. The full InChI is InChI=1S/C30H23NO2/c1-31-18-25(19-9-3-2-4-10-19)29(17-21-11-5-6-14-22(21)27(29)32)30(31)24-16-8-13-20-12-7-15-23(26(20)24)28(30)33/h2-16,25H,17-18H2,1H3/t25-,29+,30+/m1/s1.
What are the key properties of CID 71561190?
CID 71561190 has a molecular weight of 429.52 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71561190 is sourced from PubChem (CID 71561190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).