7,10-bis(4-tert-butylphenyl)fluoranthene

C36H34 — CID 86077778

IUPAC7,10-bis(4-tert-butylphenyl)fluoranthene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C36H34/c1-35(2,3)26-17-13-23(14-18-26)28-21-22-29(24-15-19-27(20-16-24)36(4,5)6)34-31-12-8-10-25-9-7-11-30(32(25)31)33(28)34/h7-22H,1-6H3
InChIKeyPWTBZPYJRDXDDD-UHFFFAOYSA-N
MW466.67 g/mol
LogP10.42
Rot. Bonds2

About 7,10-bis(4-tert-butylphenyl)fluoranthene

7,10-bis(4-tert-butylphenyl)fluoranthene (PubChem CID 86077778) has the molecular formula C36H34 and a molecular weight of 466.67 g/mol. Its IUPAC name is 7,10-bis(4-tert-butylphenyl)fluoranthene.

Molecular Properties

Compound Name7,10-bis(4-tert-butylphenyl)fluoranthene
PubChem CID86077778
Molecular FormulaC36H34
Molecular Weight466.67 g/mol
Exact Mass466.27
IUPAC Name7,10-bis(4-tert-butylphenyl)fluoranthene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C36H34/c1-35(2,3)26-17-13-23(14-18-26)28-21-22-29(24-15-19-27(20-16-24)36(4,5)6)34-31-12-8-10-25-9-7-11-30(32(25)31)33(28)34/h7-22H,1-6H3
InChIKeyPWTBZPYJRDXDDD-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,10-bis(4-tert-butylphenyl)fluoranthene?
The IUPAC name of 7,10-bis(4-tert-butylphenyl)fluoranthene (CID 86077778) is 7,10-bis(4-tert-butylphenyl)fluoranthene.
What is the SMILES notation for 7,10-bis(4-tert-butylphenyl)fluoranthene?
The canonical SMILES for 7,10-bis(4-tert-butylphenyl)fluoranthene is CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 7,10-bis(4-tert-butylphenyl)fluoranthene?
The InChIKey is PWTBZPYJRDXDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34/c1-35(2,3)26-17-13-23(14-18-26)28-21-22-29(24-15-19-27(20-16-24)36(4,5)6)34-31-12-8-10-25-9-7-11-30(32(25)31)33(28)34/h7-22H,1-6H3.
What are the key properties of 7,10-bis(4-tert-butylphenyl)fluoranthene?
7,10-bis(4-tert-butylphenyl)fluoranthene has a molecular weight of 466.67 g/mol, XLogP of 10.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-bis(4-tert-butylphenyl)fluoranthene is sourced from PubChem (CID 86077778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).