10-phenyltetradecan-5-ylbenzene

C26H38 — CID 22891787

IUPAC10-phenyltetradecan-5-ylbenzene
SMILESCCCCC(CCCCC(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38/c1-3-5-15-23(25-17-9-7-10-18-25)21-13-14-22-24(16-6-4-2)26-19-11-8-12-20-26/h7-12,17-20,23-24H,3-6,13-16,21-22H2,1-2H3
InChIKeyYNDPBAVHGIKUIK-UHFFFAOYSA-N
MW350.59 g/mol
LogP8.49
Rot. Bonds13

About 10-phenyltetradecan-5-ylbenzene

10-phenyltetradecan-5-ylbenzene (PubChem CID 22891787) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 10-phenyltetradecan-5-ylbenzene.

Molecular Properties

Compound Name10-phenyltetradecan-5-ylbenzene
PubChem CID22891787
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name10-phenyltetradecan-5-ylbenzene
SMILESCCCCC(CCCCC(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38/c1-3-5-15-23(25-17-9-7-10-18-25)21-13-14-22-24(16-6-4-2)26-19-11-8-12-20-26/h7-12,17-20,23-24H,3-6,13-16,21-22H2,1-2H3
InChIKeyYNDPBAVHGIKUIK-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 58.49
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

icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
heptan-3-ylbenzene;methane
CID 159006232
octan-3-ylbenzene
CID 519547
3-phenylundecan-1-ol
CID 101150144
CID 58843291
CID 58843291
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
1-chlorooctan-2-ylbenzene
CID 66033446
1-bromododecan-2-ylbenzene
CID 66043461
2-phenylundecan-1-amine
CID 57256894
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514

Frequently Asked Questions

What is the IUPAC name of 10-phenyltetradecan-5-ylbenzene?
The IUPAC name of 10-phenyltetradecan-5-ylbenzene (CID 22891787) is 10-phenyltetradecan-5-ylbenzene.
What is the SMILES notation for 10-phenyltetradecan-5-ylbenzene?
The canonical SMILES for 10-phenyltetradecan-5-ylbenzene is CCCCC(CCCCC(CCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 10-phenyltetradecan-5-ylbenzene?
The InChIKey is YNDPBAVHGIKUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38/c1-3-5-15-23(25-17-9-7-10-18-25)21-13-14-22-24(16-6-4-2)26-19-11-8-12-20-26/h7-12,17-20,23-24H,3-6,13-16,21-22H2,1-2H3.
What are the key properties of 10-phenyltetradecan-5-ylbenzene?
10-phenyltetradecan-5-ylbenzene has a molecular weight of 350.59 g/mol, XLogP of 8.49, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyltetradecan-5-ylbenzene is sourced from PubChem (CID 22891787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).