1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene

C40H34 — CID 140865937

IUPAC1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
SMILESCC(C)(C)c1cccc(-c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)c1
InChIInChI=1S/C40H34/c1-40(2,3)35-20-14-19-31(28-35)32-25-33(38-23-12-10-21-36(38)29-15-6-4-7-16-29)27-34(26-32)39-24-13-11-22-37(39)30-17-8-5-9-18-30/h4-28H,1-3H3
InChIKeyPDNNZWRIMQRHLH-UHFFFAOYSA-N
MW514.71 g/mol
LogP11.32
Rot. Bonds5

About 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene

1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene (PubChem CID 140865937) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
PubChem CID140865937
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
SMILESCC(C)(C)c1cccc(-c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)c1
InChIInChI=1S/C40H34/c1-40(2,3)35-20-14-19-31(28-35)32-25-33(38-23-12-10-21-36(38)29-15-6-4-7-16-29)27-34(26-32)39-24-13-11-22-37(39)30-17-8-5-9-18-30/h4-28H,1-3H3
InChIKeyPDNNZWRIMQRHLH-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 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene?
The IUPAC name of 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene (CID 140865937) is 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene.
What is the SMILES notation for 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene?
The canonical SMILES for 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene is CC(C)(C)c1cccc(-c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene?
The InChIKey is PDNNZWRIMQRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34/c1-40(2,3)35-20-14-19-31(28-35)32-25-33(38-23-12-10-21-36(38)29-15-6-4-7-16-29)27-34(26-32)39-24-13-11-22-37(39)30-17-8-5-9-18-30/h4-28H,1-3H3.
What are the key properties of 1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene?
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)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-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene is sourced from PubChem (CID 140865937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).