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

C54H38 — CID 177124488

IUPAC1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C54H38/c1-4-15-39(16-5-1)42-21-10-24-45(31-42)47-26-13-29-50(34-47)53-36-52(49-28-12-23-44(33-49)41-19-8-3-9-20-41)37-54(38-53)51-30-14-27-48(35-51)46-25-11-22-43(32-46)40-17-6-2-7-18-40/h1-38H
InChIKeyYTLDYUDDPLZHPD-UHFFFAOYSA-N
MW686.90 g/mol
LogP15.02
Rot. Bonds8

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

1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene (PubChem CID 177124488) has the molecular formula C54H38 and a molecular weight of 686.90 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
PubChem CID177124488
Molecular FormulaC54H38
Molecular Weight686.90 g/mol
Exact Mass686.30
IUPAC Name1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C54H38/c1-4-15-39(16-5-1)42-21-10-24-45(31-42)47-26-13-29-50(34-47)53-36-52(49-28-12-23-44(33-49)41-19-8-3-9-20-41)37-54(38-53)51-30-14-27-48(35-51)46-25-11-22-43(32-46)40-17-6-2-7-18-40/h1-38H
InChIKeyYTLDYUDDPLZHPD-UHFFFAOYSA-N
XLogP15.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 515.02
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-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
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
1,3-diphenylbenzene;ethane;methane
CID 171489435
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene?
The IUPAC name of 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene (CID 177124488) is 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene is c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)c2)cc1.
What is the InChIKey of 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene?
The InChIKey is YTLDYUDDPLZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38/c1-4-15-39(16-5-1)42-21-10-24-45(31-42)47-26-13-29-50(34-47)53-36-52(49-28-12-23-44(33-49)41-19-8-3-9-20-41)37-54(38-53)51-30-14-27-48(35-51)46-25-11-22-43(32-46)40-17-6-2-7-18-40/h1-38H.
What are the key properties of 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene?
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene has a molecular weight of 686.90 g/mol, XLogP of 15.02, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 177124488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).