1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene

C133H112 — CID 162010466

IUPAC1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
SMILESCc1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccc(-c2ccccc2)c(-c2ccccc2)c1.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cccc(-c2ccccc2)c1-c1ccccc1.Cc1cccc(-c2ccccc2-c2ccccc2)c1.Cc1ccccc1-c1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/7C19H16/c1-15-9-8-14-18(16-10-4-2-5-11-16)19(15)17-12-6-3-7-13-17;1-15-12-13-18(16-8-4-2-5-9-16)19(14-15)17-10-6-3-7-11-17;1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-15-9-5-6-12-17(15)19-14-8-7-13-18(19)16-10-3-2-4-11-16;1-15-8-7-11-17(14-15)19-13-6-5-12-18(19)16-9-3-2-4-10-16;1-15-8-5-6-13-19(15)18-12-7-11-17(14-18)16-9-3-2-4-10-16;1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16/h7*2-14H,1H3
InChIKeyYTKCXGWAXPYWEG-UHFFFAOYSA-N
MW1710.36 g/mol
LogP37.30
Rot. Bonds14

About 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene

1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene (PubChem CID 162010466) has the molecular formula C133H112 and a molecular weight of 1710.36 g/mol. Its IUPAC name is 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
PubChem CID162010466
Molecular FormulaC133H112
Molecular Weight1710.36 g/mol
Exact Mass1708.88
IUPAC Name1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
SMILESCc1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccc(-c2ccccc2)c(-c2ccccc2)c1.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cccc(-c2ccccc2)c1-c1ccccc1.Cc1cccc(-c2ccccc2-c2ccccc2)c1.Cc1ccccc1-c1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/7C19H16/c1-15-9-8-14-18(16-10-4-2-5-11-16)19(15)17-12-6-3-7-13-17;1-15-12-13-18(16-8-4-2-5-9-16)19(14-15)17-10-6-3-7-11-17;1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-15-9-5-6-12-17(15)19-14-8-7-13-18(19)16-10-3-2-4-11-16;1-15-8-7-11-17(14-15)19-13-6-5-12-18(19)16-9-3-2-4-10-16;1-15-8-5-6-13-19(15)18-12-7-11-17(14-18)16-9-3-2-4-10-16;1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16/h7*2-14H,1H3
InChIKeyYTKCXGWAXPYWEG-UHFFFAOYSA-N
XLogP37.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001710.36
LogP ≤ 537.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene?
The IUPAC name of 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene (CID 162010466) is 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene.
What is the SMILES notation for 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene?
The canonical SMILES for 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene is Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccc(-c2ccccc2)c(-c2ccccc2)c1.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cccc(-c2ccccc2)c1-c1ccccc1.Cc1cccc(-c2ccccc2-c2ccccc2)c1.Cc1ccccc1-c1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene?
The InChIKey is YTKCXGWAXPYWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/7C19H16/c1-15-9-8-14-18(16-10-4-2-5-11-16)19(15)17-12-6-3-7-13-17;1-15-12-13-18(16-8-4-2-5-9-16)19(14-15)17-10-6-3-7-11-17;1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-15-9-5-6-12-17(15)19-14-8-7-13-18(19)16-10-3-2-4-11-16;1-15-8-7-11-17(14-15)19-13-6-5-12-18(19)16-9-3-2-4-10-16;1-15-8-5-6-13-19(15)18-12-7-11-17(14-18)16-9-3-2-4-10-16;1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16/h7*2-14H,1H3.
What are the key properties of 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene?
1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene has a molecular weight of 1710.36 g/mol, XLogP of 37.30, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene is sourced from PubChem (CID 162010466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).