1-phenyltridecan-2-ylbenzene

C25H36 — CID 22919631

IUPAC1-phenyltridecan-2-ylbenzene
SMILESCCCCCCCCCCCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-14-21-25(24-19-15-11-16-20-24)22-23-17-12-10-13-18-23/h10-13,15-20,25H,2-9,14,21-22H2,1H3
InChIKeyGNHAEEGUWSRDFW-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.93
Rot. Bonds13

About 1-phenyltridecan-2-ylbenzene

1-phenyltridecan-2-ylbenzene (PubChem CID 22919631) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-phenyltridecan-2-ylbenzene.

Molecular Properties

Compound Name1-phenyltridecan-2-ylbenzene
PubChem CID22919631
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name1-phenyltridecan-2-ylbenzene
SMILESCCCCCCCCCCCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-14-21-25(24-19-15-11-16-20-24)22-23-17-12-10-13-18-23/h10-13,15-20,25H,2-9,14,21-22H2,1H3
InChIKeyGNHAEEGUWSRDFW-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-phenyltridecan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenylundecan-2-ylbenzene
CID 22919994
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-(2-phenylheptyl)naphthalene
CID 174423017
octan-3-ylbenzene
CID 519547
10-phenyltetradecan-5-ylbenzene
CID 22891787
1-chlorooctan-2-ylbenzene
CID 66033446
1-bromododecan-2-ylbenzene
CID 66043461
2-phenylundecan-1-amine
CID 57256894
2-benzyltetradecylbenzene
CID 22920205
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
3-phenylundecan-1-ol
CID 101150144

Frequently Asked Questions

What is the IUPAC name of 1-phenyltridecan-2-ylbenzene?
The IUPAC name of 1-phenyltridecan-2-ylbenzene (CID 22919631) is 1-phenyltridecan-2-ylbenzene.
What is the SMILES notation for 1-phenyltridecan-2-ylbenzene?
The canonical SMILES for 1-phenyltridecan-2-ylbenzene is CCCCCCCCCCCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyltridecan-2-ylbenzene?
The InChIKey is GNHAEEGUWSRDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-14-21-25(24-19-15-11-16-20-24)22-23-17-12-10-13-18-23/h10-13,15-20,25H,2-9,14,21-22H2,1H3.
What are the key properties of 1-phenyltridecan-2-ylbenzene?
1-phenyltridecan-2-ylbenzene has a molecular weight of 336.56 g/mol, XLogP of 7.93, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyltridecan-2-ylbenzene is sourced from PubChem (CID 22919631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).