6-(3-hexylphenyl)pentaphene

C34H30 — CID 173214415

IUPAC6-(3-hexylphenyl)pentaphene
SMILESCCCCCCc1cccc(-c2cc3cc4ccccc4cc3c3cc4ccccc4cc23)c1
InChIInChI=1S/C34H30/c1-2-3-4-5-11-24-12-10-17-29(18-24)31-23-30-19-25-13-6-7-14-26(25)20-32(30)34-22-28-16-9-8-15-27(28)21-33(31)34/h6-10,12-23H,2-5,11H2,1H3
InChIKeyPXEXDFHXBOWIAY-UHFFFAOYSA-N
MW438.61 g/mol
LogP10.09
Rot. Bonds6

About 6-(3-hexylphenyl)pentaphene

6-(3-hexylphenyl)pentaphene (PubChem CID 173214415) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 6-(3-hexylphenyl)pentaphene.

Molecular Properties

Compound Name6-(3-hexylphenyl)pentaphene
PubChem CID173214415
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name6-(3-hexylphenyl)pentaphene
SMILESCCCCCCc1cccc(-c2cc3cc4ccccc4cc3c3cc4ccccc4cc23)c1
InChIInChI=1S/C34H30/c1-2-3-4-5-11-24-12-10-17-29(18-24)31-23-30-19-25-13-6-7-14-26(25)20-32(30)34-22-28-16-9-8-15-27(28)21-33(31)34/h6-10,12-23H,2-5,11H2,1H3
InChIKeyPXEXDFHXBOWIAY-UHFFFAOYSA-N
XLogP10.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(3-hexylphenyl)pentaphene 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

18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
2-octylanthracene
CID 23131226
1-hexyl-3-(2-propan-2-ylphenyl)benzene
CID 173321287
1,3-di(tetradecyl)benzene
CID 91053224
1-bromo-4-octyl-2-(3-octylphenyl)benzene
CID 141358337
2-octylazulene
CID 101406191
3-(3-tridecylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621692
ethane;2-hexylnaphthalene
CID 142191207
9-naphthalen-2-yl-2-octylanthracene
CID 174689718
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
1-dodecylpentacene
CID 141370235
6,13-dibromo-2-tetracosylpentacene
CID 162372248

Frequently Asked Questions

What is the IUPAC name of 6-(3-hexylphenyl)pentaphene?
The IUPAC name of 6-(3-hexylphenyl)pentaphene (CID 173214415) is 6-(3-hexylphenyl)pentaphene.
What is the SMILES notation for 6-(3-hexylphenyl)pentaphene?
The canonical SMILES for 6-(3-hexylphenyl)pentaphene is CCCCCCc1cccc(-c2cc3cc4ccccc4cc3c3cc4ccccc4cc23)c1.
What is the InChIKey of 6-(3-hexylphenyl)pentaphene?
The InChIKey is PXEXDFHXBOWIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/c1-2-3-4-5-11-24-12-10-17-29(18-24)31-23-30-19-25-13-6-7-14-26(25)20-32(30)34-22-28-16-9-8-15-27(28)21-33(31)34/h6-10,12-23H,2-5,11H2,1H3.
What are the key properties of 6-(3-hexylphenyl)pentaphene?
6-(3-hexylphenyl)pentaphene has a molecular weight of 438.61 g/mol, XLogP of 10.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hexylphenyl)pentaphene is sourced from PubChem (CID 173214415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).