1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene

C74H64 — CID 159646654

IUPAC1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene
SMILESCc1cc(C)c(C)c(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5cc(C)cc(C)c5C)c4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C42H38.C32H26/c1-27-18-29(3)31(5)41(20-27)36-16-10-14-34(22-36)39-24-38(33-12-8-7-9-13-33)25-40(26-39)35-15-11-17-37(23-35)42-21-28(2)19-30(4)32(42)6;1-23-16-24(2)18-29(17-23)27-14-9-15-28(19-27)32-21-30(25-10-5-3-6-11-25)20-31(22-32)26-12-7-4-8-13-26/h7-26H,1-6H3;3-22H,1-2H3
InChIKeyMRATZYCTOHKUBZ-UHFFFAOYSA-N
MW953.33 g/mol
LogP20.84
Rot. Bonds9

About 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene

1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene (PubChem CID 159646654) has the molecular formula C74H64 and a molecular weight of 953.33 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene
PubChem CID159646654
Molecular FormulaC74H64
Molecular Weight953.33 g/mol
Exact Mass952.50
IUPAC Name1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene
SMILESCc1cc(C)c(C)c(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5cc(C)cc(C)c5C)c4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C42H38.C32H26/c1-27-18-29(3)31(5)41(20-27)36-16-10-14-34(22-36)39-24-38(33-12-8-7-9-13-33)25-40(26-39)35-15-11-17-37(23-35)42-21-28(2)19-30(4)32(42)6;1-23-16-24(2)18-29(17-23)27-14-9-15-28(19-27)32-21-30(25-10-5-3-6-11-25)20-31(22-32)26-12-7-4-8-13-26/h7-26H,1-6H3;3-22H,1-2H3
InChIKeyMRATZYCTOHKUBZ-UHFFFAOYSA-N
XLogP20.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.33
LogP ≤ 520.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
CID 141408697
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
CID 59552818
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
CID 159368011
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene (CID 159646654) is 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene is Cc1cc(C)c(C)c(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5cc(C)cc(C)c5C)c4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene?
The InChIKey is MRATZYCTOHKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38.C32H26/c1-27-18-29(3)31(5)41(20-27)36-16-10-14-34(22-36)39-24-38(33-12-8-7-9-13-33)25-40(26-39)35-15-11-17-37(23-35)42-21-28(2)19-30(4)32(42)6;1-23-16-24(2)18-29(17-23)27-14-9-15-28(19-27)32-21-30(25-10-5-3-6-11-25)20-31(22-32)26-12-7-4-8-13-26/h7-26H,1-6H3;3-22H,1-2H3.
What are the key properties of 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene?
1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene has a molecular weight of 953.33 g/mol, XLogP of 20.84, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 159646654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).