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

C206H168 — CID 158504879

IUPAC1,2-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
SMILESCc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(C)cc5)c4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cc(C)c(C)cc3-c3cccc(-c4ccc(C)cc4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3ccc(-c4cccc(-c5ccc(C)cc5)c4)c(-c4ccccc4)c3)c2)cc1.Cc1ccccc1-c1cccc(-c2ccc(-c3cccc(-c4ccccc4C)c3)cc2)c1.Cc1ccccc1-c1cccc(-c2cccc(-c3cccc(-c4ccccc4C)c3)c2)c1.Cc1ccccc1-c1cccc(-c2ccccc2-c2cccc(-c3ccccc3C)c2)c1
InChIInChI=1S/2C38H30.C34H30.3C32H26/c1-27-14-18-30(19-15-27)32-10-6-12-34(22-32)37-24-36(29-8-4-3-5-9-29)25-38(26-37)35-13-7-11-33(23-35)31-20-16-28(2)17-21-31;1-27-14-18-29(19-15-27)32-10-6-12-34(24-32)35-22-23-37(38(26-35)31-8-4-3-5-9-31)36-13-7-11-33(25-36)30-20-16-28(2)17-21-30;1-23-11-15-27(16-12-23)29-7-5-9-31(21-29)33-19-25(3)26(4)20-34(33)32-10-6-8-30(22-32)28-17-13-24(2)14-18-28;1-23-10-3-5-18-31(23)29-16-8-14-27(21-29)25-12-7-13-26(20-25)28-15-9-17-30(22-28)32-19-6-4-11-24(32)2;1-23-9-3-5-15-31(23)29-13-7-11-27(21-29)25-17-19-26(20-18-25)28-12-8-14-30(22-28)32-16-6-4-10-24(32)2;1-23-11-3-5-17-29(23)25-13-9-15-27(21-25)31-19-7-8-20-32(31)28-16-10-14-26(22-28)30-18-6-4-12-24(30)2/h2*3-26H,1-2H3;5-22H,1-4H3;3*3-22H,1-2H3
InChIKeyHKIQJVVARPZKBS-UHFFFAOYSA-N
MW2643.61 g/mol
LogP57.78
Rot. Bonds26

About 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

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 (PubChem CID 158504879) has the molecular formula C206H168 and a molecular weight of 2643.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2-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
PubChem CID158504879
Molecular FormulaC206H168
Molecular Weight2643.61 g/mol
Exact Mass2641.31
IUPAC Name1,2-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
SMILESCc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(C)cc5)c4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cc(C)c(C)cc3-c3cccc(-c4ccc(C)cc4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3ccc(-c4cccc(-c5ccc(C)cc5)c4)c(-c4ccccc4)c3)c2)cc1.Cc1ccccc1-c1cccc(-c2ccc(-c3cccc(-c4ccccc4C)c3)cc2)c1.Cc1ccccc1-c1cccc(-c2cccc(-c3cccc(-c4ccccc4C)c3)c2)c1.Cc1ccccc1-c1cccc(-c2ccccc2-c2cccc(-c3ccccc3C)c2)c1
InChIInChI=1S/2C38H30.C34H30.3C32H26/c1-27-14-18-30(19-15-27)32-10-6-12-34(22-32)37-24-36(29-8-4-3-5-9-29)25-38(26-37)35-13-7-11-33(23-35)31-20-16-28(2)17-21-31;1-27-14-18-29(19-15-27)32-10-6-12-34(24-32)35-22-23-37(38(26-35)31-8-4-3-5-9-31)36-13-7-11-33(25-36)30-20-16-28(2)17-21-30;1-23-11-15-27(16-12-23)29-7-5-9-31(21-29)33-19-25(3)26(4)20-34(33)32-10-6-8-30(22-32)28-17-13-24(2)14-18-28;1-23-10-3-5-18-31(23)29-16-8-14-27(21-29)25-12-7-13-26(20-25)28-15-9-17-30(22-28)32-19-6-4-11-24(32)2;1-23-9-3-5-15-31(23)29-13-7-11-27(21-29)25-17-19-26(20-18-25)28-12-8-14-30(22-28)32-16-6-4-10-24(32)2;1-23-11-3-5-17-29(23)25-13-9-15-27(21-25)31-19-7-8-20-32(31)28-16-10-14-26(22-28)30-18-6-4-12-24(30)2/h2*3-26H,1-2H3;5-22H,1-4H3;3*3-22H,1-2H3
InChIKeyHKIQJVVARPZKBS-UHFFFAOYSA-N
XLogP57.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002643.61
LogP ≤ 557.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene
CID 161146851
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
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
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-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
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-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-3-[2-(2-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(3-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(2-phenylphenyl)phenyl]benzene
CID 161087634
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(C)cc5)c4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cc(C)c(C)cc3-c3cccc(-c4ccc(C)cc4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3ccc(-c4cccc(-c5ccc(C)cc5)c4)c(-c4ccccc4)c3)c2)cc1.Cc1ccccc1-c1cccc(-c2ccc(-c3cccc(-c4ccccc4C)c3)cc2)c1.Cc1ccccc1-c1cccc(-c2cccc(-c3cccc(-c4ccccc4C)c3)c2)c1.Cc1ccccc1-c1cccc(-c2ccccc2-c2cccc(-c3ccccc3C)c2)c1.
What is the InChIKey of 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?
The InChIKey is HKIQJVVARPZKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H30.C34H30.3C32H26/c1-27-14-18-30(19-15-27)32-10-6-12-34(22-32)37-24-36(29-8-4-3-5-9-29)25-38(26-37)35-13-7-11-33(23-35)31-20-16-28(2)17-21-31;1-27-14-18-29(19-15-27)32-10-6-12-34(24-32)35-22-23-37(38(26-35)31-8-4-3-5-9-31)36-13-7-11-33(25-36)30-20-16-28(2)17-21-30;1-23-11-15-27(16-12-23)29-7-5-9-31(21-29)33-19-25(3)26(4)20-34(33)32-10-6-8-30(22-32)28-17-13-24(2)14-18-28;1-23-10-3-5-18-31(23)29-16-8-14-27(21-29)25-12-7-13-26(20-25)28-15-9-17-30(22-28)32-19-6-4-11-24(32)2;1-23-9-3-5-15-31(23)29-13-7-11-27(21-29)25-17-19-26(20-18-25)28-12-8-14-30(22-28)32-16-6-4-10-24(32)2;1-23-11-3-5-17-29(23)25-13-9-15-27(21-25)31-19-7-8-20-32(31)28-16-10-14-26(22-28)30-18-6-4-12-24(30)2/h2*3-26H,1-2H3;5-22H,1-4H3;3*3-22H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2643.61 g/mol, XLogP of 57.78, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158504879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).