1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene

C45H36 — CID 59552812

IUPAC1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
SMILESCc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5cc(C)cc(C)c5)c4)c3)c2)c1
InChIInChI=1S/C45H36/c1-31-12-10-17-36(21-31)42-25-40(34-13-6-4-7-14-34)26-43(29-42)37-18-11-19-38(24-37)44-27-41(35-15-8-5-9-16-35)28-45(30-44)39-22-32(2)20-33(3)23-39/h4-30H,1-3H3
InChIKeyFSHCPCMQAQAHNE-UHFFFAOYSA-N
MW576.78 g/mol
LogP12.61
Rot. Bonds6

About 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene

1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene (PubChem CID 59552812) has the molecular formula C45H36 and a molecular weight of 576.78 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
PubChem CID59552812
Molecular FormulaC45H36
Molecular Weight576.78 g/mol
Exact Mass576.28
IUPAC Name1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
SMILESCc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5cc(C)cc(C)c5)c4)c3)c2)c1
InChIInChI=1S/C45H36/c1-31-12-10-17-36(21-31)42-25-40(34-13-6-4-7-14-34)26-43(29-42)37-18-11-19-38(24-37)44-27-41(35-15-8-5-9-16-35)28-45(30-44)39-22-32(2)20-33(3)23-39/h4-30H,1-3H3
InChIKeyFSHCPCMQAQAHNE-UHFFFAOYSA-N
XLogP12.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.78
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
methanamine;1-methyl-3-phenylbenzene
CID 145414985

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene (CID 59552812) is 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene is Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5cc(C)cc(C)c5)c4)c3)c2)c1.
What is the InChIKey of 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene?
The InChIKey is FSHCPCMQAQAHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36/c1-31-12-10-17-36(21-31)42-25-40(34-13-6-4-7-14-34)26-43(29-42)37-18-11-19-38(24-37)44-27-41(35-15-8-5-9-16-35)28-45(30-44)39-22-32(2)20-33(3)23-39/h4-30H,1-3H3.
What are the key properties of 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene?
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene has a molecular weight of 576.78 g/mol, XLogP of 12.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene is sourced from PubChem (CID 59552812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).