4-(1,8-diphenylfluoren-1-yl)-2-methylphenol

C32H24O — CID 139370657

IUPAC4-(1,8-diphenylfluoren-1-yl)-2-methylphenol
SMILESCc1cc(C2(c3ccccc3)C=CC=C3C2=Cc2c3cccc2-c2ccccc2)ccc1O
InChIInChI=1S/C32H24O/c1-22-20-25(17-18-31(22)33)32(24-12-6-3-7-13-24)19-9-16-28-27-15-8-14-26(29(27)21-30(28)32)23-10-4-2-5-11-23/h2-21,33H,1H3
InChIKeyKZVPMXKFBKDNFD-UHFFFAOYSA-N
MW424.54 g/mol
LogP7.70
Rot. Bonds3

About 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol

4-(1,8-diphenylfluoren-1-yl)-2-methylphenol (PubChem CID 139370657) has the molecular formula C32H24O and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(1,8-diphenylfluoren-1-yl)-2-methylphenol
PubChem CID139370657
Molecular FormulaC32H24O
Molecular Weight424.54 g/mol
Exact Mass424.18
IUPAC Name4-(1,8-diphenylfluoren-1-yl)-2-methylphenol
SMILESCc1cc(C2(c3ccccc3)C=CC=C3C2=Cc2c3cccc2-c2ccccc2)ccc1O
InChIInChI=1S/C32H24O/c1-22-20-25(17-18-31(22)33)32(24-12-6-3-7-13-24)19-9-16-28-27-15-8-14-26(29(27)21-30(28)32)23-10-4-2-5-11-23/h2-21,33H,1H3
InChIKeyKZVPMXKFBKDNFD-UHFFFAOYSA-N
XLogP7.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol?
The IUPAC name of 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol (CID 139370657) is 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol.
What is the SMILES notation for 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol?
The canonical SMILES for 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol is Cc1cc(C2(c3ccccc3)C=CC=C3C2=Cc2c3cccc2-c2ccccc2)ccc1O.
What is the InChIKey of 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol?
The InChIKey is KZVPMXKFBKDNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O/c1-22-20-25(17-18-31(22)33)32(24-12-6-3-7-13-24)19-9-16-28-27-15-8-14-26(29(27)21-30(28)32)23-10-4-2-5-11-23/h2-21,33H,1H3.
What are the key properties of 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol?
4-(1,8-diphenylfluoren-1-yl)-2-methylphenol has a molecular weight of 424.54 g/mol, XLogP of 7.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-diphenylfluoren-1-yl)-2-methylphenol is sourced from PubChem (CID 139370657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).