[7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone

C39H24F2O2 — CID 166451829

IUPAC[7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C(=O)c3ccc(F)cc3)ccc1-2
InChIInChI=1S/C39H24F2O2/c40-31-17-11-25(12-18-31)37(42)27-15-21-33-34-22-16-28(38(43)26-13-19-32(41)20-14-26)24-36(34)39(35(33)23-27,29-7-3-1-4-8-29)30-9-5-2-6-10-30/h1-24H
InChIKeyZANPKTGGASLGDD-UHFFFAOYSA-N
MW562.62 g/mol
LogP8.79
Rot. Bonds6

About [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone

[7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone (PubChem CID 166451829) has the molecular formula C39H24F2O2 and a molecular weight of 562.62 g/mol. Its IUPAC name is [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone
PubChem CID166451829
Molecular FormulaC39H24F2O2
Molecular Weight562.62 g/mol
Exact Mass562.17
IUPAC Name[7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C(=O)c3ccc(F)cc3)ccc1-2
InChIInChI=1S/C39H24F2O2/c40-31-17-11-25(12-18-31)37(42)27-15-21-33-34-22-16-28(38(43)26-13-19-32(41)20-14-26)24-36(34)39(35(33)23-27,29-7-3-1-4-8-29)30-9-5-2-6-10-30/h1-24H
InChIKeyZANPKTGGASLGDD-UHFFFAOYSA-N
XLogP8.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.62
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-phenylmethanone
CID 161464622
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
2-N,7-N-bis(4-fluorophenyl)-9,9-diphenylfluorene-2,7-diamine
CID 172547033
CID 59217319
CID 59217319
(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone
CID 68993545
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
4-[bis(9,9-diphenylfluoren-2-yl)amino]benzoic acid
CID 139978935
5-[7-(3,5-disulfobenzoyl)-9,9-bis(4-hydroxyphenyl)fluorene-2-carbonyl]benzene-1,3-disulfonic acid
CID 89107613
9H-fluoren-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146631569
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
[2-benzoyl-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]-phenylmethanone
CID 58084722

Frequently Asked Questions

What is the IUPAC name of [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone (CID 166451829) is [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C(=O)c3ccc(F)cc3)ccc1-2.
What is the InChIKey of [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZANPKTGGASLGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F2O2/c40-31-17-11-25(12-18-31)37(42)27-15-21-33-34-22-16-28(38(43)26-13-19-32(41)20-14-26)24-36(34)39(35(33)23-27,29-7-3-1-4-8-29)30-9-5-2-6-10-30/h1-24H.
What are the key properties of [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone?
[7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 562.62 g/mol, XLogP of 8.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-fluorobenzoyl)-9,9-diphenylfluoren-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 166451829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).