1,4-bis[3-(3-phenylphenyl)phenyl]benzene

C42H30 — CID 123341500

IUPAC1,4-bis[3-(3-phenylphenyl)phenyl]benzene
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc4)c3)c2)cc1
InChIInChI=1S/C42H30/c1-3-11-31(12-4-1)35-15-7-19-39(27-35)41-21-9-17-37(29-41)33-23-25-34(26-24-33)38-18-10-22-42(30-38)40-20-8-16-36(28-40)32-13-5-2-6-14-32/h1-30H
InChIKeyXVEVYVKNIJAHKR-UHFFFAOYSA-N
MW534.70 g/mol
LogP11.69
Rot. Bonds6

About 1,4-bis[3-(3-phenylphenyl)phenyl]benzene

1,4-bis[3-(3-phenylphenyl)phenyl]benzene (PubChem CID 123341500) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 1,4-bis[3-(3-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-bis[3-(3-phenylphenyl)phenyl]benzene
PubChem CID123341500
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name1,4-bis[3-(3-phenylphenyl)phenyl]benzene
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc4)c3)c2)cc1
InChIInChI=1S/C42H30/c1-3-11-31(12-4-1)35-15-7-19-39(27-35)41-21-9-17-37(29-41)33-23-25-34(26-24-33)38-18-10-22-42(30-38)40-20-8-16-36(28-40)32-13-5-2-6-14-32/h1-30H
InChIKeyXVEVYVKNIJAHKR-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
bis(1,3-diphenylbenzene);ethane
CID 144938975
1,3-diphenylbenzene;ethane;methane
CID 171489435
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[3-(3-phenylphenyl)phenyl]benzene?
The IUPAC name of 1,4-bis[3-(3-phenylphenyl)phenyl]benzene (CID 123341500) is 1,4-bis[3-(3-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1,4-bis[3-(3-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1,4-bis[3-(3-phenylphenyl)phenyl]benzene is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc4)c3)c2)cc1.
What is the InChIKey of 1,4-bis[3-(3-phenylphenyl)phenyl]benzene?
The InChIKey is XVEVYVKNIJAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-3-11-31(12-4-1)35-15-7-19-39(27-35)41-21-9-17-37(29-41)33-23-25-34(26-24-33)38-18-10-22-42(30-38)40-20-8-16-36(28-40)32-13-5-2-6-14-32/h1-30H.
What are the key properties of 1,4-bis[3-(3-phenylphenyl)phenyl]benzene?
1,4-bis[3-(3-phenylphenyl)phenyl]benzene has a molecular weight of 534.70 g/mol, XLogP of 11.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3-(3-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 123341500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).