1,4-bis(4-methylphenyl)-2,3-diphenylbenzene

C32H26 — CID 123305097

IUPAC1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C32H26/c1-23-13-17-25(18-14-23)29-21-22-30(26-19-15-24(2)16-20-26)32(28-11-7-4-8-12-28)31(29)27-9-5-3-6-10-27/h3-22H,1-2H3
InChIKeyPOPWXYMUQKWSRJ-UHFFFAOYSA-N
MW410.56 g/mol
LogP8.97
Rot. Bonds4

About 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene

1,4-bis(4-methylphenyl)-2,3-diphenylbenzene (PubChem CID 123305097) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
PubChem CID123305097
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C32H26/c1-23-13-17-25(18-14-23)29-21-22-30(26-19-15-24(2)16-20-26)32(28-11-7-4-8-12-28)31(29)27-9-5-3-6-10-27/h3-22H,1-2H3
InChIKeyPOPWXYMUQKWSRJ-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene?
The IUPAC name of 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene (CID 123305097) is 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene.
What is the SMILES notation for 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene?
The canonical SMILES for 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene is Cc1ccc(-c2ccc(-c3ccc(C)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene?
The InChIKey is POPWXYMUQKWSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26/c1-23-13-17-25(18-14-23)29-21-22-30(26-19-15-24(2)16-20-26)32(28-11-7-4-8-12-28)31(29)27-9-5-3-6-10-27/h3-22H,1-2H3.
What are the key properties of 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene?
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene has a molecular weight of 410.56 g/mol, XLogP of 8.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)-2,3-diphenylbenzene is sourced from PubChem (CID 123305097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).