2,7-bis(4-tert-butylphenyl)-9H-fluorene

C33H34 — CID 123322808

IUPAC2,7-bis(4-tert-butylphenyl)-9H-fluorene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)Cc2cc(-c4ccc(C(C)(C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C33H34/c1-32(2,3)28-13-7-22(8-14-28)24-11-17-30-26(19-24)21-27-20-25(12-18-31(27)30)23-9-15-29(16-10-23)33(4,5)6/h7-20H,21H2,1-6H3
InChIKeyOYEUAGUFILFYFU-UHFFFAOYSA-N
MW430.64 g/mol
LogP9.19
Rot. Bonds2

About 2,7-bis(4-tert-butylphenyl)-9H-fluorene

2,7-bis(4-tert-butylphenyl)-9H-fluorene (PubChem CID 123322808) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 2,7-bis(4-tert-butylphenyl)-9H-fluorene.

Molecular Properties

Compound Name2,7-bis(4-tert-butylphenyl)-9H-fluorene
PubChem CID123322808
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name2,7-bis(4-tert-butylphenyl)-9H-fluorene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)Cc2cc(-c4ccc(C(C)(C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C33H34/c1-32(2,3)28-13-7-22(8-14-28)24-11-17-30-26(19-24)21-27-20-25(12-18-31(27)30)23-9-15-29(16-10-23)33(4,5)6/h7-20H,21H2,1-6H3
InChIKeyOYEUAGUFILFYFU-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-tert-butylphenyl)-9H-fluorene?
The IUPAC name of 2,7-bis(4-tert-butylphenyl)-9H-fluorene (CID 123322808) is 2,7-bis(4-tert-butylphenyl)-9H-fluorene.
What is the SMILES notation for 2,7-bis(4-tert-butylphenyl)-9H-fluorene?
The canonical SMILES for 2,7-bis(4-tert-butylphenyl)-9H-fluorene is CC(C)(C)c1ccc(-c2ccc3c(c2)Cc2cc(-c4ccc(C(C)(C)C)cc4)ccc2-3)cc1.
What is the InChIKey of 2,7-bis(4-tert-butylphenyl)-9H-fluorene?
The InChIKey is OYEUAGUFILFYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34/c1-32(2,3)28-13-7-22(8-14-28)24-11-17-30-26(19-24)21-27-20-25(12-18-31(27)30)23-9-15-29(16-10-23)33(4,5)6/h7-20H,21H2,1-6H3.
What are the key properties of 2,7-bis(4-tert-butylphenyl)-9H-fluorene?
2,7-bis(4-tert-butylphenyl)-9H-fluorene has a molecular weight of 430.64 g/mol, XLogP of 9.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-tert-butylphenyl)-9H-fluorene is sourced from PubChem (CID 123322808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).