1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene

C78H54 — CID 166563615

IUPAC1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccc(-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)cc5)c4)c3)c2)cc1
InChIInChI=1S/C78H54/c1-7-21-55(22-8-1)67-43-68(56-23-9-2-10-24-56)47-74(46-67)66-36-20-35-65(42-66)64-34-19-33-63(41-64)61-37-39-62(40-38-61)73-52-77(75-48-69(57-25-11-3-12-26-57)44-70(49-75)58-27-13-4-14-28-58)54-78(53-73)76-50-71(59-29-15-5-16-30-59)45-72(51-76)60-31-17-6-18-32-60/h1-54H
InChIKeyIXFNSVSJKXAUOY-UHFFFAOYSA-N
MW991.29 g/mol
LogP21.69
Rot. Bonds12

About 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene

1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene (PubChem CID 166563615) has the molecular formula C78H54 and a molecular weight of 991.29 g/mol. Its IUPAC name is 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
PubChem CID166563615
Molecular FormulaC78H54
Molecular Weight991.29 g/mol
Exact Mass990.42
IUPAC Name1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccc(-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)cc5)c4)c3)c2)cc1
InChIInChI=1S/C78H54/c1-7-21-55(22-8-1)67-43-68(56-23-9-2-10-24-56)47-74(46-67)66-36-20-35-65(42-66)64-34-19-33-63(41-64)61-37-39-62(40-38-61)73-52-77(75-48-69(57-25-11-3-12-26-57)44-70(49-75)58-27-13-4-14-28-58)54-78(53-73)76-50-71(59-29-15-5-16-30-59)45-72(51-76)60-31-17-6-18-32-60/h1-54H
InChIKeyIXFNSVSJKXAUOY-UHFFFAOYSA-N
XLogP21.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.29
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
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
bis(1,3-diphenylbenzene);ethane
CID 144938975
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
1,3-diphenylbenzene;ethane;methane
CID 171489435

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene (CID 166563615) is 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccc(-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)cc5)c4)c3)c2)cc1.
What is the InChIKey of 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene?
The InChIKey is IXFNSVSJKXAUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54/c1-7-21-55(22-8-1)67-43-68(56-23-9-2-10-24-56)47-74(46-67)66-36-20-35-65(42-66)64-34-19-33-63(41-64)61-37-39-62(40-38-61)73-52-77(75-48-69(57-25-11-3-12-26-57)44-70(49-75)58-27-13-4-14-28-58)54-78(53-73)76-50-71(59-29-15-5-16-30-59)45-72(51-76)60-31-17-6-18-32-60/h1-54H.
What are the key properties of 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene?
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene has a molecular weight of 991.29 g/mol, XLogP of 21.69, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 166563615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).