CID 101479601

C27H15 — CID 101479601

IUPAC—
SMILESC1=C2[C](C=c3c2cc2cccc4cccc3c42)c2cccc3cccc1c23
InChIInChI=1S/C27H15/c1-5-16-7-3-11-20-24-15-25-21-12-4-8-17-6-2-10-19(27(17)21)14-23(25)22(24)13-18(9-1)26(16)20/h1-15H
InChIKeyNDFIXFLSGJQMIL-UHFFFAOYSA-N
MW339.42 g/mol
LogP6.14
Rot. Bonds

About CID 101479601

CID 101479601 (PubChem CID 101479601) has the molecular formula C27H15 and a molecular weight of 339.42 g/mol.

Molecular Properties

Compound NameCID 101479601
PubChem CID101479601
Molecular FormulaC27H15
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name—
SMILESC1=C2[C](C=c3c2cc2cccc4cccc3c42)c2cccc3cccc1c23
InChIInChI=1S/C27H15/c1-5-16-7-3-11-20-24-15-25-21-12-4-8-17-6-2-10-19(27(17)21)14-23(25)22(24)13-18(9-1)26(16)20/h1-15H
InChIKeyNDFIXFLSGJQMIL-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.42
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-pyren-4-ylpyrene
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4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
acenaphthylen-1-yloxy(trimethyl)silane
CID 56954913
(2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene
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Frequently Asked Questions

What is the IUPAC name of CID 101479601?
The IUPAC name of CID 101479601 (CID 101479601) is not available.
What is the SMILES notation for CID 101479601?
The canonical SMILES for CID 101479601 is C1=C2[C](C=c3c2cc2cccc4cccc3c42)c2cccc3cccc1c23.
What is the InChIKey of CID 101479601?
The InChIKey is NDFIXFLSGJQMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15/c1-5-16-7-3-11-20-24-15-25-21-12-4-8-17-6-2-10-19(27(17)21)14-23(25)22(24)13-18(9-1)26(16)20/h1-15H.
What are the key properties of CID 101479601?
CID 101479601 has a molecular weight of 339.42 g/mol, XLogP of 6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101479601 is sourced from PubChem (CID 101479601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).