1,4-bis(2,4-diphenylphenyl)tetracene

C54H36 — CID 165170400

IUPAC1,4-bis(2,4-diphenylphenyl)tetracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cc5cc6ccccc6cc5cc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36/c1-5-15-37(16-6-1)43-25-27-47(51(33-43)39-19-9-3-10-20-39)49-29-30-50(54-36-46-32-42-24-14-13-23-41(42)31-45(46)35-53(49)54)48-28-26-44(38-17-7-2-8-18-38)34-52(48)40-21-11-4-12-22-40/h1-36H
InChIKeyBXNABVRCLMHMDC-UHFFFAOYSA-N
MW684.88 g/mol
LogP15.15
Rot. Bonds6

About 1,4-bis(2,4-diphenylphenyl)tetracene

1,4-bis(2,4-diphenylphenyl)tetracene (PubChem CID 165170400) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 1,4-bis(2,4-diphenylphenyl)tetracene.

Molecular Properties

Compound Name1,4-bis(2,4-diphenylphenyl)tetracene
PubChem CID165170400
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name1,4-bis(2,4-diphenylphenyl)tetracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cc5cc6ccccc6cc5cc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36/c1-5-15-37(16-6-1)43-25-27-47(51(33-43)39-19-9-3-10-20-39)49-29-30-50(54-36-46-32-42-24-14-13-23-41(42)31-45(46)35-53(49)54)48-28-26-44(38-17-7-2-8-18-38)34-52(48)40-21-11-4-12-22-40/h1-36H
InChIKeyBXNABVRCLMHMDC-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 102295223
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
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CID 162258725
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CID 162004033
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
2,7-diphenylanthracene
CID 154020316
2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
CID 171052464
1-(2-phenylphenyl)anthracene
CID 21435778
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1,2-diphenylpentacene
CID 22247158
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,4-diphenylphenyl)tetracene?
The IUPAC name of 1,4-bis(2,4-diphenylphenyl)tetracene (CID 165170400) is 1,4-bis(2,4-diphenylphenyl)tetracene.
What is the SMILES notation for 1,4-bis(2,4-diphenylphenyl)tetracene?
The canonical SMILES for 1,4-bis(2,4-diphenylphenyl)tetracene is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cc5cc6ccccc6cc5cc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,4-bis(2,4-diphenylphenyl)tetracene?
The InChIKey is BXNABVRCLMHMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-5-15-37(16-6-1)43-25-27-47(51(33-43)39-19-9-3-10-20-39)49-29-30-50(54-36-46-32-42-24-14-13-23-41(42)31-45(46)35-53(49)54)48-28-26-44(38-17-7-2-8-18-38)34-52(48)40-21-11-4-12-22-40/h1-36H.
What are the key properties of 1,4-bis(2,4-diphenylphenyl)tetracene?
1,4-bis(2,4-diphenylphenyl)tetracene has a molecular weight of 684.88 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,4-diphenylphenyl)tetracene is sourced from PubChem (CID 165170400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).