(11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone

C30H20O2 — CID 134842874

IUPAC(11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2ccccc2c2c1-c1ccccc1C2(O)c1ccccc1
InChIInChI=1S/C30H20O2/c31-29(20-11-3-1-4-12-20)25-19-21-13-7-8-16-23(21)28-27(25)24-17-9-10-18-26(24)30(28,32)22-14-5-2-6-15-22/h1-19,32H
InChIKeyRKQNKOUFMZJRHG-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.34
Rot. Bonds3

About (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone

(11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone (PubChem CID 134842874) has the molecular formula C30H20O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone
PubChem CID134842874
Molecular FormulaC30H20O2
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name(11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2ccccc2c2c1-c1ccccc1C2(O)c1ccccc1
InChIInChI=1S/C30H20O2/c31-29(20-11-3-1-4-12-20)25-19-21-13-7-8-16-23(21)28-27(25)24-17-9-10-18-26(24)30(28,32)22-14-5-2-6-15-22/h1-19,32H
InChIKeyRKQNKOUFMZJRHG-UHFFFAOYSA-N
XLogP6.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone?
The IUPAC name of (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone (CID 134842874) is (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone.
What is the SMILES notation for (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone?
The canonical SMILES for (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone is O=C(c1ccccc1)c1cc2ccccc2c2c1-c1ccccc1C2(O)c1ccccc1.
What is the InChIKey of (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone?
The InChIKey is RKQNKOUFMZJRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O2/c31-29(20-11-3-1-4-12-20)25-19-21-13-7-8-16-23(21)28-27(25)24-17-9-10-18-26(24)30(28,32)22-14-5-2-6-15-22/h1-19,32H.
What are the key properties of (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone?
(11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone has a molecular weight of 412.49 g/mol, XLogP of 6.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11-hydroxy-11-phenylbenzo[a]fluoren-6-yl)-phenylmethanone is sourced from PubChem (CID 134842874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).