1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene

C37H28 — CID 142935427

IUPAC1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
SMILESCc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C37H28/c1-27-12-14-32(15-13-27)35-24-36(33-20-16-30(17-21-33)28-8-4-2-5-9-28)26-37(25-35)34-22-18-31(19-23-34)29-10-6-3-7-11-29/h2-26H,1H3
InChIKeyROBPKWRXYBFHCL-UHFFFAOYSA-N
MW472.63 g/mol
LogP10.33
Rot. Bonds5

About 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene

1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene (PubChem CID 142935427) has the molecular formula C37H28 and a molecular weight of 472.63 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
PubChem CID142935427
Molecular FormulaC37H28
Molecular Weight472.63 g/mol
Exact Mass472.22
IUPAC Name1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
SMILESCc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C37H28/c1-27-12-14-32(15-13-27)35-24-36(33-20-16-30(17-21-33)28-8-4-2-5-9-28)26-37(25-35)34-22-18-31(19-23-34)29-10-6-3-7-11-29/h2-26H,1H3
InChIKeyROBPKWRXYBFHCL-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
ethane;1,3,5-triphenylbenzene
CID 142123051
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
1,1'-biphenyl;toluene
CID 18366440
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
1,3,5-triphenylbenzene
CID 158331433

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene?
The IUPAC name of 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene (CID 142935427) is 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene.
What is the SMILES notation for 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene?
The canonical SMILES for 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene is Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene?
The InChIKey is ROBPKWRXYBFHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28/c1-27-12-14-32(15-13-27)35-24-36(33-20-16-30(17-21-33)28-8-4-2-5-9-28)26-37(25-35)34-22-18-31(19-23-34)29-10-6-3-7-11-29/h2-26H,1H3.
What are the key properties of 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene?
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene has a molecular weight of 472.63 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene is sourced from PubChem (CID 142935427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).