CID 140790044

C38H38 — CID 140790044

IUPAC—
SMILESCC1=C(C)C2(CCC13c1ccccc1C(C)(C)c1ccccc13)c1ccccc1C(C)(C)c1ccccc12
InChIInChI=1S/C38H38/c1-25-26(2)38(33-21-13-9-17-29(33)36(5,6)30-18-10-14-22-34(30)38)24-23-37(25)31-19-11-7-15-27(31)35(3,4)28-16-8-12-20-32(28)37/h7-22H,23-24H2,1-6H3
InChIKeyYBGNVJZYBPNSRJ-UHFFFAOYSA-N
MW494.72 g/mol
LogP9.37
Rot. Bonds

About CID 140790044

CID 140790044 (PubChem CID 140790044) has the molecular formula C38H38 and a molecular weight of 494.72 g/mol.

Molecular Properties

Compound NameCID 140790044
PubChem CID140790044
Molecular FormulaC38H38
Molecular Weight494.72 g/mol
Exact Mass494.30
IUPAC Name—
SMILESCC1=C(C)C2(CCC13c1ccccc1C(C)(C)c1ccccc13)c1ccccc1C(C)(C)c1ccccc12
InChIInChI=1S/C38H38/c1-25-26(2)38(33-21-13-9-17-29(33)36(5,6)30-18-10-14-22-34(30)38)24-23-37(25)31-19-11-7-15-27(31)35(3,4)28-16-8-12-20-32(28)37/h7-22H,23-24H2,1-6H3
InChIKeyYBGNVJZYBPNSRJ-UHFFFAOYSA-N
XLogP9.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140790044?
The IUPAC name of CID 140790044 (CID 140790044) is not available.
What is the SMILES notation for CID 140790044?
The canonical SMILES for CID 140790044 is CC1=C(C)C2(CCC13c1ccccc1C(C)(C)c1ccccc13)c1ccccc1C(C)(C)c1ccccc12.
What is the InChIKey of CID 140790044?
The InChIKey is YBGNVJZYBPNSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38/c1-25-26(2)38(33-21-13-9-17-29(33)36(5,6)30-18-10-14-22-34(30)38)24-23-37(25)31-19-11-7-15-27(31)35(3,4)28-16-8-12-20-32(28)37/h7-22H,23-24H2,1-6H3.
What are the key properties of CID 140790044?
CID 140790044 has a molecular weight of 494.72 g/mol, XLogP of 9.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140790044 is sourced from PubChem (CID 140790044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).