1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene

C75H60 — CID 163934955

IUPAC1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/3C25H20/c1-19-10-8-9-15-25(19)24-17-22(20-11-4-2-5-12-20)16-23(18-24)21-13-6-3-7-14-21;1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21/h3*2-18H,1H3
InChIKeyRLXJIXOOMOBHOV-UHFFFAOYSA-N
MW961.31 g/mol
LogP20.99
Rot. Bonds9

About 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene

1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene (PubChem CID 163934955) has the molecular formula C75H60 and a molecular weight of 961.31 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
PubChem CID163934955
Molecular FormulaC75H60
Molecular Weight961.31 g/mol
Exact Mass960.47
IUPAC Name1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/3C25H20/c1-19-10-8-9-15-25(19)24-17-22(20-11-4-2-5-12-20)16-23(18-24)21-13-6-3-7-14-21;1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21/h3*2-18H,1H3
InChIKeyRLXJIXOOMOBHOV-UHFFFAOYSA-N
XLogP20.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.31
LogP ≤ 520.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689
1,3-bis(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1,3-xylene
CID 158071150
1,4-bis[3-(4-methylphenyl)phenyl]-2,5-diphenylbenzene;1,3-bis[3-(3-methylphenyl)-5-phenylphenyl]-5-phenylbenzene;1-methyl-2-[3-[2-[2-[3-(2-methylphenyl)phenyl]phenyl]phenyl]phenyl]benzene;1-methyl-4-[3-[2-[2-[3-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]benzene;1-methyl-4-[3-[3-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]benzene;1-(3-methylphenyl)-3-[2-[2-[3-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 159620080
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
1-methyl-2-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-2-[3-(3-phenylphenyl)phenyl]benzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene
CID 157433128
1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391
1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-2-phenyl-4-(4-phenylphenyl)benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 159186914
1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylnaphthalene
CID 157278644
2-methyl-1,3-diphenylbenzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 165013304
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
1,2-bis(3-methylphenyl)benzene;1,3-bis(3-methylphenyl)benzene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[3-(3-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162017354

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene?
The IUPAC name of 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene (CID 163934955) is 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene.
What is the SMILES notation for 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene?
The canonical SMILES for 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene is Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene?
The InChIKey is RLXJIXOOMOBHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H20/c1-19-10-8-9-15-25(19)24-17-22(20-11-4-2-5-12-20)16-23(18-24)21-13-6-3-7-14-21;1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21/h3*2-18H,1H3.
What are the key properties of 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene?
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene has a molecular weight of 961.31 g/mol, XLogP of 20.99, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene is sourced from PubChem (CID 163934955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).