1,2-diphenylpentacene

C34H22 — CID 22247158

IUPAC1,2-diphenylpentacene
SMILESc1ccc(-c2ccc3cc4cc5cc6ccccc6cc5cc4cc3c2-c2ccccc2)cc1
InChIInChI=1S/C34H22/c1-3-9-23(10-4-1)32-16-15-27-19-30-20-28-17-25-13-7-8-14-26(25)18-29(28)21-31(30)22-33(27)34(32)24-11-5-2-6-12-24/h1-22H
InChIKeyAPYSGXYBDHTWKP-UHFFFAOYSA-N
MW430.55 g/mol
LogP9.63
Rot. Bonds2

About 1,2-diphenylpentacene

1,2-diphenylpentacene (PubChem CID 22247158) has the molecular formula C34H22 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1,2-diphenylpentacene.

Molecular Properties

Compound Name1,2-diphenylpentacene
PubChem CID22247158
Molecular FormulaC34H22
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name1,2-diphenylpentacene
SMILESc1ccc(-c2ccc3cc4cc5cc6ccccc6cc5cc4cc3c2-c2ccccc2)cc1
InChIInChI=1S/C34H22/c1-3-9-23(10-4-1)32-16-15-27-19-30-20-28-17-25-13-7-8-14-26(25)18-29(28)21-31(30)22-33(27)34(32)24-11-5-2-6-12-24/h1-22H
InChIKeyAPYSGXYBDHTWKP-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-diphenylpentacene 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

2-phenylanthracen-1-ol
CID 54315343
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
1,2-diphenylnaphthalene
CID 11208267
1-(2,3-diphenylphenyl)anthracene
CID 151584978
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
1,4,8,11-tetraphenylpentacene
CID 102295223
5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239
12-(2-phenylanthracen-1-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 166544888
1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
1,4-bis(2,4-diphenylphenyl)tetracene
CID 165170400

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylpentacene?
The IUPAC name of 1,2-diphenylpentacene (CID 22247158) is 1,2-diphenylpentacene.
What is the SMILES notation for 1,2-diphenylpentacene?
The canonical SMILES for 1,2-diphenylpentacene is c1ccc(-c2ccc3cc4cc5cc6ccccc6cc5cc4cc3c2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenylpentacene?
The InChIKey is APYSGXYBDHTWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22/c1-3-9-23(10-4-1)32-16-15-27-19-30-20-28-17-25-13-7-8-14-26(25)18-29(28)21-31(30)22-33(27)34(32)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 1,2-diphenylpentacene?
1,2-diphenylpentacene has a molecular weight of 430.55 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpentacene is sourced from PubChem (CID 22247158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).