CID 171636424

C35H43 — CID 171636424

IUPAC—
SMILESC=Cc1ccc2ccccc2c1[CH]C(CC1=C(C(C)C)CCC=C1C(C)C)c1ccccc1.CC
InChIInChI=1S/C33H37.C2H6/c1-6-25-19-20-27-15-10-11-16-31(27)32(25)21-28(26-13-8-7-9-14-26)22-33-29(23(2)3)17-12-18-30(33)24(4)5;1-2/h6-11,13-17,19-21,23-24,28H,1,12,18,22H2,2-5H3;1-2H3
InChIKeyLDRRGWGMSGYBPJ-UHFFFAOYSA-N
MW463.73 g/mol
LogP10.56
Rot. Bonds8

About CID 171636424

CID 171636424 (PubChem CID 171636424) has the molecular formula C35H43 and a molecular weight of 463.73 g/mol.

Molecular Properties

Compound NameCID 171636424
PubChem CID171636424
Molecular FormulaC35H43
Molecular Weight463.73 g/mol
Exact Mass463.34
IUPAC Name—
SMILESC=Cc1ccc2ccccc2c1[CH]C(CC1=C(C(C)C)CCC=C1C(C)C)c1ccccc1.CC
InChIInChI=1S/C33H37.C2H6/c1-6-25-19-20-27-15-10-11-16-31(27)32(25)21-28(26-13-8-7-9-14-26)22-33-29(23(2)3)17-12-18-30(33)24(4)5;1-2/h6-11,13-17,19-21,23-24,28H,1,12,18,22H2,2-5H3;1-2H3
InChIKeyLDRRGWGMSGYBPJ-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.73
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 171636424 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 171636424?
The IUPAC name of CID 171636424 (CID 171636424) is not available.
What is the SMILES notation for CID 171636424?
The canonical SMILES for CID 171636424 is C=Cc1ccc2ccccc2c1[CH]C(CC1=C(C(C)C)CCC=C1C(C)C)c1ccccc1.CC.
What is the InChIKey of CID 171636424?
The InChIKey is LDRRGWGMSGYBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37.C2H6/c1-6-25-19-20-27-15-10-11-16-31(27)32(25)21-28(26-13-8-7-9-14-26)22-33-29(23(2)3)17-12-18-30(33)24(4)5;1-2/h6-11,13-17,19-21,23-24,28H,1,12,18,22H2,2-5H3;1-2H3.
What are the key properties of CID 171636424?
CID 171636424 has a molecular weight of 463.73 g/mol, XLogP of 10.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171636424 is sourced from PubChem (CID 171636424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).