1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene

C40H34 — CID 141427914

IUPAC1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
SMILESCC(C)(C)c1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H34/c1-40(2,3)39-12-8-7-11-38(39)37-27-25-36(26-28-37)35-23-21-34(22-24-35)33-19-17-32(18-20-33)31-15-13-30(14-16-31)29-9-5-4-6-10-29/h4-28H,1-3H3
InChIKeyVBHNXNQSKHEBDE-UHFFFAOYSA-N
MW514.71 g/mol
LogP11.32
Rot. Bonds5

About 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene

1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene (PubChem CID 141427914) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
PubChem CID141427914
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
SMILESCC(C)(C)c1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H34/c1-40(2,3)39-12-8-7-11-38(39)37-27-25-36(26-28-37)35-23-21-34(22-24-35)33-19-17-32(18-20-33)31-15-13-30(14-16-31)29-9-5-4-6-10-29/h4-28H,1-3H3
InChIKeyVBHNXNQSKHEBDE-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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Related Compounds

1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 175090687
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
(2-tert-butyl-6-phenylphenyl)methylphosphane
CID 67259813
1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 140946173
2-methyl-2-(2-phenylphenyl)propanenitrile
CID 151853688

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene (CID 141427914) is 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene is CC(C)(C)c1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene?
The InChIKey is VBHNXNQSKHEBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34/c1-40(2,3)39-12-8-7-11-38(39)37-27-25-36(26-28-37)35-23-21-34(22-24-35)33-19-17-32(18-20-33)31-15-13-30(14-16-31)29-9-5-4-6-10-29/h4-28H,1-3H3.
What are the key properties of 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene?
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene 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 1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 141427914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).