2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol

C32H33NO — CID 58058931

IUPAC2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol
SMILESCCCCC1(CCCC)c2ccc(-c3ccccn3)cc2-c2cc(-c3ccccc3O)ccc21
InChIInChI=1S/C32H33NO/c1-3-5-18-32(19-6-4-2)28-16-14-23(25-11-7-8-13-31(25)34)21-26(28)27-22-24(15-17-29(27)32)30-12-9-10-20-33-30/h7-17,20-22,34H,3-6,18-19H2,1-2H3
InChIKeyVJVSFODSIKXARD-UHFFFAOYSA-N
MW447.62 g/mol
LogP8.77
Rot. Bonds8

About 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol

2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol (PubChem CID 58058931) has the molecular formula C32H33NO and a molecular weight of 447.62 g/mol. Its IUPAC name is 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol.

Molecular Properties

Compound Name2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol
PubChem CID58058931
Molecular FormulaC32H33NO
Molecular Weight447.62 g/mol
Exact Mass447.26
IUPAC Name2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol
SMILESCCCCC1(CCCC)c2ccc(-c3ccccn3)cc2-c2cc(-c3ccccc3O)ccc21
InChIInChI=1S/C32H33NO/c1-3-5-18-32(19-6-4-2)28-16-14-23(25-11-7-8-13-31(25)34)21-26(28)27-22-24(15-17-29(27)32)30-12-9-10-20-33-30/h7-17,20-22,34H,3-6,18-19H2,1-2H3
InChIKeyVJVSFODSIKXARD-UHFFFAOYSA-N
XLogP8.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol?
The IUPAC name of 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol (CID 58058931) is 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol.
What is the SMILES notation for 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol?
The canonical SMILES for 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol is CCCCC1(CCCC)c2ccc(-c3ccccn3)cc2-c2cc(-c3ccccc3O)ccc21.
What is the InChIKey of 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol?
The InChIKey is VJVSFODSIKXARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO/c1-3-5-18-32(19-6-4-2)28-16-14-23(25-11-7-8-13-31(25)34)21-26(28)27-22-24(15-17-29(27)32)30-12-9-10-20-33-30/h7-17,20-22,34H,3-6,18-19H2,1-2H3.
What are the key properties of 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol?
2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol has a molecular weight of 447.62 g/mol, XLogP of 8.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol is sourced from PubChem (CID 58058931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).