CID 143824359

C35H39O — CID 143824359

IUPAC—
SMILESCC.Cc1ccc(C2=C(c3ccc(CCC(CCCc4ccccc4)C(=O)C4=CC=C4)cc3)[CH]2)cc1.[H][H]
InChIInChI=1S/C33H31O.C2H6.H2/c1-24-13-18-27(19-14-24)31-23-32(31)28-20-15-26(16-21-28)17-22-30(33(34)29-11-6-12-29)10-5-9-25-7-3-2-4-8-25;1-2;/h2-4,6-8,11-16,18-21,23,30H,5,9-10,17,22H2,1H3;1-2H3;1H
InChIKeyQOXXFHBSUVYDSU-UHFFFAOYSA-N
MW475.70 g/mol
LogP9.03
Rot. Bonds11

About CID 143824359

CID 143824359 (PubChem CID 143824359) has the molecular formula C35H39O and a molecular weight of 475.70 g/mol.

Molecular Properties

Compound NameCID 143824359
PubChem CID143824359
Molecular FormulaC35H39O
Molecular Weight475.70 g/mol
Exact Mass475.30
IUPAC Name—
SMILESCC.Cc1ccc(C2=C(c3ccc(CCC(CCCc4ccccc4)C(=O)C4=CC=C4)cc3)[CH]2)cc1.[H][H]
InChIInChI=1S/C33H31O.C2H6.H2/c1-24-13-18-27(19-14-24)31-23-32(31)28-20-15-26(16-21-28)17-22-30(33(34)29-11-6-12-29)10-5-9-25-7-3-2-4-8-25;1-2;/h2-4,6-8,11-16,18-21,23,30H,5,9-10,17,22H2,1H3;1-2H3;1H
InChIKeyQOXXFHBSUVYDSU-UHFFFAOYSA-N
XLogP9.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.70
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-ethyl-7-(4-methylphenyl)heptanoic acid
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1-(4-methylphenyl)-5-phenylpentan-2-ol
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2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
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1-(cyclobutadienyl)-2-(4-methylphenyl)ethanone;ethane;molecular hydrogen;propane
CID 143590010
2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid
CID 46244432
6-hydroxy-3-(2-phenylethyl)hexan-2-one
CID 174363911
2-[2-[4-(3-cyano-4-methoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
CID 46244326
2-[2-(4-methylphenyl)ethyl]pent-4-ynoic acid
CID 82363331
1-[4-(4-chlorophenyl)phenyl]-4-methyl-2-(3-phenylpropyl)pentan-1-one
CID 54348896

Frequently Asked Questions

What is the IUPAC name of CID 143824359?
The IUPAC name of CID 143824359 (CID 143824359) is not available.
What is the SMILES notation for CID 143824359?
The canonical SMILES for CID 143824359 is CC.Cc1ccc(C2=C(c3ccc(CCC(CCCc4ccccc4)C(=O)C4=CC=C4)cc3)[CH]2)cc1.[H][H].
What is the InChIKey of CID 143824359?
The InChIKey is QOXXFHBSUVYDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31O.C2H6.H2/c1-24-13-18-27(19-14-24)31-23-32(31)28-20-15-26(16-21-28)17-22-30(33(34)29-11-6-12-29)10-5-9-25-7-3-2-4-8-25;1-2;/h2-4,6-8,11-16,18-21,23,30H,5,9-10,17,22H2,1H3;1-2H3;1H.
What are the key properties of CID 143824359?
CID 143824359 has a molecular weight of 475.70 g/mol, XLogP of 9.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143824359 is sourced from PubChem (CID 143824359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).