5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene

C66H44 — CID 21043375

IUPAC5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C66H44/c1-7-23-45(24-8-1)51-39-41-57(59(43-51)47-27-11-3-12-28-47)63-55-37-21-22-38-56(55)64(58-42-40-52(46-25-9-2-10-26-46)44-60(58)48-29-13-4-14-30-48)66-62(50-33-17-6-18-34-50)54-36-20-19-35-53(54)61(65(63)66)49-31-15-5-16-32-49/h1-44H
InChIKeyJJBOOMBJJQQKQX-UHFFFAOYSA-N
MW837.08 g/mol
LogP18.48
Rot. Bonds8

About 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene

5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene (PubChem CID 21043375) has the molecular formula C66H44 and a molecular weight of 837.08 g/mol. Its IUPAC name is 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene.

Molecular Properties

Compound Name5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
PubChem CID21043375
Molecular FormulaC66H44
Molecular Weight837.08 g/mol
Exact Mass836.34
IUPAC Name5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C66H44/c1-7-23-45(24-8-1)51-39-41-57(59(43-51)47-27-11-3-12-28-47)63-55-37-21-22-38-56(55)64(58-42-40-52(46-25-9-2-10-26-46)44-60(58)48-29-13-4-14-30-48)66-62(50-33-17-6-18-34-50)54-36-20-19-35-53(54)61(65(63)66)49-31-15-5-16-32-49/h1-44H
InChIKeyJJBOOMBJJQQKQX-UHFFFAOYSA-N
XLogP18.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.08
LogP ≤ 518.48
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

9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol
CID 123581976
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59459845
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
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
CID 518325
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 169063252
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene?
The IUPAC name of 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene (CID 21043375) is 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene.
What is the SMILES notation for 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene?
The canonical SMILES for 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene?
The InChIKey is JJBOOMBJJQQKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44/c1-7-23-45(24-8-1)51-39-41-57(59(43-51)47-27-11-3-12-28-47)63-55-37-21-22-38-56(55)64(58-42-40-52(46-25-9-2-10-26-46)44-60(58)48-29-13-4-14-30-48)66-62(50-33-17-6-18-34-50)54-36-20-19-35-53(54)61(65(63)66)49-31-15-5-16-32-49/h1-44H.
What are the key properties of 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene?
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene has a molecular weight of 837.08 g/mol, XLogP of 18.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene is sourced from PubChem (CID 21043375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).