15-phenylnonacosan-15-ylbenzene

C41H68 — CID 141310981

IUPAC15-phenylnonacosan-15-ylbenzene
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H68/c1-3-5-7-9-11-13-15-17-19-21-23-31-37-41(39-33-27-25-28-34-39,40-35-29-26-30-36-40)38-32-24-22-20-18-16-14-12-10-8-6-4-2/h25-30,33-36H,3-24,31-32,37-38H2,1-2H3
InChIKeySWIPXSBCIDMSAU-UHFFFAOYSA-N
MW561.00 g/mol
LogP14.16
Rot. Bonds28

About 15-phenylnonacosan-15-ylbenzene

15-phenylnonacosan-15-ylbenzene (PubChem CID 141310981) has the molecular formula C41H68 and a molecular weight of 561.00 g/mol. Its IUPAC name is 15-phenylnonacosan-15-ylbenzene.

Molecular Properties

Compound Name15-phenylnonacosan-15-ylbenzene
PubChem CID141310981
Molecular FormulaC41H68
Molecular Weight561.00 g/mol
Exact Mass560.53
IUPAC Name15-phenylnonacosan-15-ylbenzene
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H68/c1-3-5-7-9-11-13-15-17-19-21-23-31-37-41(39-33-27-25-28-34-39,40-35-29-26-30-36-40)38-32-24-22-20-18-16-14-12-10-8-6-4-2/h25-30,33-36H,3-24,31-32,37-38H2,1-2H3
InChIKeySWIPXSBCIDMSAU-UHFFFAOYSA-N
XLogP14.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.00
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-chloro-2-phenylundecan-2-yl)benzene
CID 152536169
1,1-diphenyldodecan-1-amine
CID 19925745
5-butylhexadecan-5-ylbenzene
CID 173084700
1,1-difluoroheptylbenzene
CID 12070547
4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline
CID 67826991
1,1-diphenylhexan-1-amine
CID 20568221
2-phenyldecan-2-amine
CID 63408050
5-phenylundecan-5-ol
CID 175525363
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
5-phenyltetradecan-5-ol
CID 175223116
tert-butylbenzene;hexane
CID 175254424
2-phenylicosan-2-amine;hydrochloride
CID 173065845

Frequently Asked Questions

What is the IUPAC name of 15-phenylnonacosan-15-ylbenzene?
The IUPAC name of 15-phenylnonacosan-15-ylbenzene (CID 141310981) is 15-phenylnonacosan-15-ylbenzene.
What is the SMILES notation for 15-phenylnonacosan-15-ylbenzene?
The canonical SMILES for 15-phenylnonacosan-15-ylbenzene is CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 15-phenylnonacosan-15-ylbenzene?
The InChIKey is SWIPXSBCIDMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H68/c1-3-5-7-9-11-13-15-17-19-21-23-31-37-41(39-33-27-25-28-34-39,40-35-29-26-30-36-40)38-32-24-22-20-18-16-14-12-10-8-6-4-2/h25-30,33-36H,3-24,31-32,37-38H2,1-2H3.
What are the key properties of 15-phenylnonacosan-15-ylbenzene?
15-phenylnonacosan-15-ylbenzene has a molecular weight of 561.00 g/mol, XLogP of 14.16, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenylnonacosan-15-ylbenzene is sourced from PubChem (CID 141310981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).