CID 58581388

C28H26 — CID 58581388

IUPAC—
SMILESC1=CC(CCC2C=Cc3cc4c(cc32)C2(C=CC43CC3)CC2)c2ccccc21
InChIInChI=1S/C28H26/c1-2-4-23-19(3-1)5-6-20(23)7-8-21-9-10-22-17-25-26(18-24(21)22)28(15-16-28)14-13-27(25)11-12-27/h1-6,9-10,13-14,17-18,20-21H,7-8,11-12,15-16H2
InChIKeyWCNBQNOSCFNLIV-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.02
Rot. Bonds3

About CID 58581388

CID 58581388 (PubChem CID 58581388) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol.

Molecular Properties

Compound NameCID 58581388
PubChem CID58581388
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name—
SMILESC1=CC(CCC2C=Cc3cc4c(cc32)C2(C=CC43CC3)CC2)c2ccccc21
InChIInChI=1S/C28H26/c1-2-4-23-19(3-1)5-6-20(23)7-8-21-9-10-22-17-25-26(18-24(21)22)28(15-16-28)14-13-27(25)11-12-27/h1-6,9-10,13-14,17-18,20-21H,7-8,11-12,15-16H2
InChIKeyWCNBQNOSCFNLIV-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
CID 6663
Dehydroabietane
CID 86869
Simonellite
CID 176455
1,1,3,4,4,6-Hexamethyltetralin
CID 102750
1,2,3,4-Tetrahydro-6-(1-phenylethyl)naphthalene
CID 110802
Temarotene
CID 6436116
(4aS,10aS)-1,2,3,4,4a,9,10,10a-Octahydro-4a-methyl-1-methylene-7-(1-methylethyl)phenanthrene
CID 44268166
18-Nor-4(19),8,11,13-abietatetraene
CID 5320205
5,7-dimethyl-4-methylene-3-(4-methylphenyl)-1H-naphthalene
CID 6610345
6-Phenyl-1,2,3,4-tetrahydronaphthalene
CID 15556970
Nordehydroabietane
CID 220273

Frequently Asked Questions

What is the IUPAC name of CID 58581388?
The IUPAC name of CID 58581388 (CID 58581388) is not available.
What is the SMILES notation for CID 58581388?
The canonical SMILES for CID 58581388 is C1=CC(CCC2C=Cc3cc4c(cc32)C2(C=CC43CC3)CC2)c2ccccc21.
What is the InChIKey of CID 58581388?
The InChIKey is WCNBQNOSCFNLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-2-4-23-19(3-1)5-6-20(23)7-8-21-9-10-22-17-25-26(18-24(21)22)28(15-16-28)14-13-27(25)11-12-27/h1-6,9-10,13-14,17-18,20-21H,7-8,11-12,15-16H2.
What are the key properties of CID 58581388?
CID 58581388 has a molecular weight of 362.52 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58581388 is sourced from PubChem (CID 58581388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).