1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene

C58H46 — CID 58881209

IUPAC1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
SMILESCc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4-c4ccccc4)cc3C)c(C)c2)cc1C
InChIInChI=1S/C58H46/c1-39-32-46(47-25-29-54(40(2)33-47)56-31-27-49(35-42(56)4)58-23-15-14-22-57(58)45-20-12-7-13-21-45)24-28-53(39)55-30-26-48(34-41(55)3)52-37-50(43-16-8-5-9-17-43)36-51(38-52)44-18-10-6-11-19-44/h5-38H,1-4H3
InChIKeyMWTJKYCZHAIYMO-UHFFFAOYSA-N
MW743.01 g/mol
LogP16.26
Rot. Bonds8

About 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene

1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene (PubChem CID 58881209) has the molecular formula C58H46 and a molecular weight of 743.01 g/mol. Its IUPAC name is 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
PubChem CID58881209
Molecular FormulaC58H46
Molecular Weight743.01 g/mol
Exact Mass742.36
IUPAC Name1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
SMILESCc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4-c4ccccc4)cc3C)c(C)c2)cc1C
InChIInChI=1S/C58H46/c1-39-32-46(47-25-29-54(40(2)33-47)56-31-27-49(35-42(56)4)58-23-15-14-22-57(58)45-20-12-7-13-21-45)24-28-53(39)55-30-26-48(34-41(55)3)52-37-50(43-16-8-5-9-17-43)36-51(38-52)44-18-10-6-11-19-44/h5-38H,1-4H3
InChIKeyMWTJKYCZHAIYMO-UHFFFAOYSA-N
XLogP16.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.01
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
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
1,2-bis[3-(2-methylphenyl)phenyl]benzene;1,3-bis[3-(2-methylphenyl)phenyl]benzene;1,4-bis[3-(2-methylphenyl)phenyl]benzene;1,3-bis[3-(4-methylphenyl)phenyl]-5-phenylbenzene;1,4-bis[3-(4-methylphenyl)phenyl]-2-phenylbenzene;1,2-dimethyl-4,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 158504879
2,11-bis(4-methylphenyl)-6-phenyltriphenylene;2,6-bis[3-(3-phenylphenyl)phenyl]triphenylene;2,7-bis[2-(2-phenylphenyl)phenyl]triphenylene;2,11-bis[2-(3-phenylphenyl)phenyl]triphenylene;2,3,6,11-tetrakis(2-methylphenyl)-7,10-bis(2-methyl-4-phenylphenyl)triphenylene;2,6,10-tris(3-phenylphenyl)triphenylene
CID 160949121
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene
CID 144907562
1,4-bis(3-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;2,4-dimethyl-1-phenylbenzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-2-[2-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(3-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162149152

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene?
The IUPAC name of 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene (CID 58881209) is 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene.
What is the SMILES notation for 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene?
The canonical SMILES for 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene is Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4-c4ccccc4)cc3C)c(C)c2)cc1C.
What is the InChIKey of 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene?
The InChIKey is MWTJKYCZHAIYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46/c1-39-32-46(47-25-29-54(40(2)33-47)56-31-27-49(35-42(56)4)58-23-15-14-22-57(58)45-20-12-7-13-21-45)24-28-53(39)55-30-26-48(34-41(55)3)52-37-50(43-16-8-5-9-17-43)36-51(38-52)44-18-10-6-11-19-44/h5-38H,1-4H3.
What are the key properties of 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene?
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene has a molecular weight of 743.01 g/mol, XLogP of 16.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene is sourced from PubChem (CID 58881209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).