2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene

C40H34 — CID 140865935

IUPAC2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
SMILESCC(C)(C)c1cccc(-c2cccc(-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)c2)c1
InChIInChI=1S/C40H34/c1-40(2,3)36-24-14-22-33(26-36)32-21-13-23-34(25-32)39-37(30-17-9-5-10-18-30)27-35(29-15-7-4-8-16-29)28-38(39)31-19-11-6-12-20-31/h4-28H,1-3H3
InChIKeyHMARHZQIANRTBB-UHFFFAOYSA-N
MW514.71 g/mol
LogP11.32
Rot. Bonds5

About 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene

2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene (PubChem CID 140865935) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene.

Molecular Properties

Compound Name2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
PubChem CID140865935
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
SMILESCC(C)(C)c1cccc(-c2cccc(-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)c2)c1
InChIInChI=1S/C40H34/c1-40(2,3)36-24-14-22-33(26-36)32-21-13-23-34(25-32)39-37(30-17-9-5-10-18-30)27-35(29-15-7-4-8-16-29)28-38(39)31-19-11-6-12-20-31/h4-28H,1-3H3
InChIKeyHMARHZQIANRTBB-UHFFFAOYSA-N
XLogP11.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene?
The IUPAC name of 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene (CID 140865935) is 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene.
What is the SMILES notation for 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene?
The canonical SMILES for 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene is CC(C)(C)c1cccc(-c2cccc(-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)c2)c1.
What is the InChIKey of 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene?
The InChIKey is HMARHZQIANRTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34/c1-40(2,3)36-24-14-22-33(26-36)32-21-13-23-34(25-32)39-37(30-17-9-5-10-18-30)27-35(29-15-7-4-8-16-29)28-38(39)31-19-11-6-12-20-31/h4-28H,1-3H3.
What are the key properties of 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene?
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene has a molecular weight of 514.71 g/mol, XLogP of 11.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene is sourced from PubChem (CID 140865935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).