4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene

C237H198 — CID 161054987

IUPAC4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene
SMILESCCC(C)c1ccc(-c2cccc(-c3cccc(C)c3)c2)c(-c2cccc(-c3cccc(C)c3)c2)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(C)cc(-c4cc(-c5ccccc5)cc(-c5ccc(C)cc5)c4)c3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cc(C)cc(-c4cc(-c5ccccc5)cc(-c5cccc(C)c5)c4)c3)c2)c1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5cccc(C)c5)c4)c(C)c3)c2)c1.Cc1cccc(-c2cccc(-c3cc(C)cc(-c4cccc(-c5cccc(C)c5)c4)c3)c2)c1.Cc1cccc(-c2cccc(-c3ccc(-c4cccc(-c5cccc(C)c5)c4)c(C)c3)c2)c1
InChIInChI=1S/3C45H36.C36H34.2C33H28/c1-31-12-10-18-36(20-31)42-25-40(34-14-6-4-7-15-34)27-44(29-42)38-22-33(3)23-39(24-38)45-28-41(35-16-8-5-9-17-35)26-43(30-45)37-19-11-13-32(2)21-37;1-31-12-10-18-36(22-31)41-25-39(34-14-6-4-7-15-34)26-42(28-41)38-20-21-45(33(3)24-38)44-29-40(35-16-8-5-9-17-35)27-43(30-44)37-19-11-13-32(2)23-37;1-31-14-18-36(19-15-31)42-25-40(34-10-6-4-7-11-34)27-44(29-42)38-22-33(3)23-39(24-38)45-28-41(35-12-8-5-9-13-35)26-43(30-45)37-20-16-32(2)17-21-37;1-5-27(4)28-18-19-35(33-16-8-14-31(22-33)29-12-6-10-25(2)20-29)36(24-28)34-17-9-15-32(23-34)30-13-7-11-26(3)21-30;1-23-8-4-10-26(16-23)28-12-6-14-30(20-28)32-18-25(3)19-33(22-32)31-15-7-13-29(21-31)27-11-5-9-24(2)17-27;1-23-8-4-10-26(18-23)28-12-6-13-29(21-28)31-16-17-33(25(3)20-31)32-15-7-14-30(22-32)27-11-5-9-24(2)19-27/h3*4-30H,1-3H3;6-24,27H,5H2,1-4H3;2*4-22H,1-3H3
InChIKeyUCPYIPJSCMBLEN-UHFFFAOYSA-N
MW3046.19 g/mol
LogP66.89
Rot. Bonds32

About 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene

4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene (PubChem CID 161054987) has the molecular formula C237H198 and a molecular weight of 3046.19 g/mol. Its IUPAC name is 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene.

Molecular Properties

Compound Name4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene
PubChem CID161054987
Molecular FormulaC237H198
Molecular Weight3046.19 g/mol
Exact Mass3043.55
IUPAC Name4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene
SMILESCCC(C)c1ccc(-c2cccc(-c3cccc(C)c3)c2)c(-c2cccc(-c3cccc(C)c3)c2)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(C)cc(-c4cc(-c5ccccc5)cc(-c5ccc(C)cc5)c4)c3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cc(C)cc(-c4cc(-c5ccccc5)cc(-c5cccc(C)c5)c4)c3)c2)c1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5cccc(C)c5)c4)c(C)c3)c2)c1.Cc1cccc(-c2cccc(-c3cc(C)cc(-c4cccc(-c5cccc(C)c5)c4)c3)c2)c1.Cc1cccc(-c2cccc(-c3ccc(-c4cccc(-c5cccc(C)c5)c4)c(C)c3)c2)c1
InChIInChI=1S/3C45H36.C36H34.2C33H28/c1-31-12-10-18-36(20-31)42-25-40(34-14-6-4-7-15-34)27-44(29-42)38-22-33(3)23-39(24-38)45-28-41(35-16-8-5-9-17-35)26-43(30-45)37-19-11-13-32(2)21-37;1-31-12-10-18-36(22-31)41-25-39(34-14-6-4-7-15-34)26-42(28-41)38-20-21-45(33(3)24-38)44-29-40(35-16-8-5-9-17-35)27-43(30-44)37-19-11-13-32(2)23-37;1-31-14-18-36(19-15-31)42-25-40(34-10-6-4-7-11-34)27-44(29-42)38-22-33(3)23-39(24-38)45-28-41(35-12-8-5-9-13-35)26-43(30-45)37-20-16-32(2)17-21-37;1-5-27(4)28-18-19-35(33-16-8-14-31(22-33)29-12-6-10-25(2)20-29)36(24-28)34-17-9-15-32(23-34)30-13-7-11-26(3)21-30;1-23-8-4-10-26(16-23)28-12-6-14-30(20-28)32-18-25(3)19-33(22-32)31-15-7-13-29(21-31)27-11-5-9-24(2)17-27;1-23-8-4-10-26(18-23)28-12-6-13-29(21-28)31-16-17-33(25(3)20-31)32-15-7-14-30(22-32)27-11-5-9-24(2)19-27/h3*4-30H,1-3H3;6-24,27H,5H2,1-4H3;2*4-22H,1-3H3
InChIKeyUCPYIPJSCMBLEN-UHFFFAOYSA-N
XLogP66.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms237
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003046.19
LogP ≤ 566.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene with MolForge

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Related Compounds

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-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
2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene
CID 102199994
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
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
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 160924050
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-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
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
2-butan-2-yltriphenylene;ethane;1-methyl-4-(4-methylphenyl)benzene;toluene
CID 144660006

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene?
The IUPAC name of 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene (CID 161054987) is 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene.
What is the SMILES notation for 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene?
The canonical SMILES for 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene is CCC(C)c1ccc(-c2cccc(-c3cccc(C)c3)c2)c(-c2cccc(-c3cccc(C)c3)c2)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(C)cc(-c4cc(-c5ccccc5)cc(-c5ccc(C)cc5)c4)c3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cc(C)cc(-c4cc(-c5ccccc5)cc(-c5cccc(C)c5)c4)c3)c2)c1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5cccc(C)c5)c4)c(C)c3)c2)c1.Cc1cccc(-c2cccc(-c3cc(C)cc(-c4cccc(-c5cccc(C)c5)c4)c3)c2)c1.Cc1cccc(-c2cccc(-c3ccc(-c4cccc(-c5cccc(C)c5)c4)c(C)c3)c2)c1.
What is the InChIKey of 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene?
The InChIKey is UCPYIPJSCMBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H36.C36H34.2C33H28/c1-31-12-10-18-36(20-31)42-25-40(34-14-6-4-7-15-34)27-44(29-42)38-22-33(3)23-39(24-38)45-28-41(35-16-8-5-9-17-35)26-43(30-45)37-19-11-13-32(2)21-37;1-31-12-10-18-36(22-31)41-25-39(34-14-6-4-7-15-34)26-42(28-41)38-20-21-45(33(3)24-38)44-29-40(35-16-8-5-9-17-35)27-43(30-44)37-19-11-13-32(2)23-37;1-31-14-18-36(19-15-31)42-25-40(34-10-6-4-7-11-34)27-44(29-42)38-22-33(3)23-39(24-38)45-28-41(35-12-8-5-9-13-35)26-43(30-45)37-20-16-32(2)17-21-37;1-5-27(4)28-18-19-35(33-16-8-14-31(22-33)29-12-6-10-25(2)20-29)36(24-28)34-17-9-15-32(23-34)30-13-7-11-26(3)21-30;1-23-8-4-10-26(16-23)28-12-6-14-30(20-28)32-18-25(3)19-33(22-32)31-15-7-13-29(21-31)27-11-5-9-24(2)17-27;1-23-8-4-10-26(18-23)28-12-6-13-29(21-28)31-16-17-33(25(3)20-31)32-15-7-14-30(22-32)27-11-5-9-24(2)19-27/h3*4-30H,1-3H3;6-24,27H,5H2,1-4H3;2*4-22H,1-3H3.
What are the key properties of 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene?
4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene has a molecular weight of 3046.19 g/mol, XLogP of 66.89, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene is sourced from PubChem (CID 161054987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).