CID 59380818

C31H31N2 — CID 59380818

IUPAC—
SMILESCc1cc(C)c(N2[CH]N(c3c(C)cc(C)cc3C)c3ccccc3-c3ccccc32)c(C)c1
InChIInChI=1S/C31H31N2/c1-20-15-22(3)30(23(4)16-20)32-19-33(31-24(5)17-21(2)18-25(31)6)29-14-10-8-12-27(29)26-11-7-9-13-28(26)32/h7-19H,1-6H3
InChIKeyHSZQHRWRSZJNEO-UHFFFAOYSA-N
MW431.60 g/mol
LogP8.61
Rot. Bonds2

About CID 59380818

CID 59380818 (PubChem CID 59380818) has the molecular formula C31H31N2 and a molecular weight of 431.60 g/mol.

Molecular Properties

Compound NameCID 59380818
PubChem CID59380818
Molecular FormulaC31H31N2
Molecular Weight431.60 g/mol
Exact Mass431.25
IUPAC Name—
SMILESCc1cc(C)c(N2[CH]N(c3c(C)cc(C)cc3C)c3ccccc3-c3ccccc32)c(C)c1
InChIInChI=1S/C31H31N2/c1-20-15-22(3)30(23(4)16-20)32-19-33(31-24(5)17-21(2)18-25(31)6)29-14-10-8-12-27(29)26-11-7-9-13-28(26)32/h7-19H,1-6H3
InChIKeyHSZQHRWRSZJNEO-UHFFFAOYSA-N
XLogP8.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 59380818 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 59380818?
The IUPAC name of CID 59380818 (CID 59380818) is not available.
What is the SMILES notation for CID 59380818?
The canonical SMILES for CID 59380818 is Cc1cc(C)c(N2[CH]N(c3c(C)cc(C)cc3C)c3ccccc3-c3ccccc32)c(C)c1.
What is the InChIKey of CID 59380818?
The InChIKey is HSZQHRWRSZJNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N2/c1-20-15-22(3)30(23(4)16-20)32-19-33(31-24(5)17-21(2)18-25(31)6)29-14-10-8-12-27(29)26-11-7-9-13-28(26)32/h7-19H,1-6H3.
What are the key properties of CID 59380818?
CID 59380818 has a molecular weight of 431.60 g/mol, XLogP of 8.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59380818 is sourced from PubChem (CID 59380818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).