1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene

C40H34 — CID 142551744

IUPAC1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
SMILESCCCCc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C40H34/c1-2-3-13-30-20-22-34(23-21-30)38-25-37(33-18-11-6-12-19-33)28-40(29-38)39-26-35(31-14-7-4-8-15-31)24-36(27-39)32-16-9-5-10-17-32/h4-12,14-29H,2-3,13H2,1H3
InChIKeyXMSBMBXZOHITLT-UHFFFAOYSA-N
MW514.71 g/mol
LogP11.36
Rot. Bonds8

About 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene

1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene (PubChem CID 142551744) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
PubChem CID142551744
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
SMILESCCCCc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C40H34/c1-2-3-13-30-20-22-34(23-21-30)38-25-37(33-18-11-6-12-19-33)28-40(29-38)39-26-35(31-14-7-4-8-15-31)24-36(27-39)32-16-9-5-10-17-32/h4-12,14-29H,2-3,13H2,1H3
InChIKeyXMSBMBXZOHITLT-UHFFFAOYSA-N
XLogP11.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-phenylbenzene;ethane
CID 143743409
1-pentadecyl-4-phenylbenzene
CID 57166115
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-bromo-3-(4-butylphenyl)benzene
CID 83666147

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene?
The IUPAC name of 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene (CID 142551744) is 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene.
What is the SMILES notation for 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene?
The canonical SMILES for 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene is CCCCc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene?
The InChIKey is XMSBMBXZOHITLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34/c1-2-3-13-30-20-22-34(23-21-30)38-25-37(33-18-11-6-12-19-33)28-40(29-38)39-26-35(31-14-7-4-8-15-31)24-36(27-39)32-16-9-5-10-17-32/h4-12,14-29H,2-3,13H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene?
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene has a molecular weight of 514.71 g/mol, XLogP of 11.36, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene is sourced from PubChem (CID 142551744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).