1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one

C31H19ClO — CID 130380056

IUPAC1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)cc3Cl)c21
InChIInChI=1S/C31H19ClO/c32-29-19-27(21-12-5-2-6-13-21)26(20-10-3-1-4-11-20)18-28(29)24-17-9-16-23-22-14-7-8-15-25(22)31(33)30(23)24/h1-19H
InChIKeyDWGIYNWJPKSTHN-UHFFFAOYSA-N
MW442.95 g/mol
LogP8.55
Rot. Bonds3

About 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one

1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one (PubChem CID 130380056) has the molecular formula C31H19ClO and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one.

Molecular Properties

Compound Name1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one
PubChem CID130380056
Molecular FormulaC31H19ClO
Molecular Weight442.95 g/mol
Exact Mass442.11
IUPAC Name1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)cc3Cl)c21
InChIInChI=1S/C31H19ClO/c32-29-19-27(21-12-5-2-6-13-21)26(20-10-3-1-4-11-20)18-28(29)24-17-9-16-23-22-14-7-8-15-25(22)31(33)30(23)24/h1-19H
InChIKeyDWGIYNWJPKSTHN-UHFFFAOYSA-N
XLogP8.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)phenyl]fluoren-9-one
CID 130380105
2,3-diphenylfluoren-9-one
CID 102493574
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
1,8-diphenylanthracene-9,10-dione
CID 12637584
1,2,4-trichloro-5-phenylbenzene
CID 27514
1-chloro-4-phenyl-2-sulfanylanthracene-9,10-dione
CID 22759190
4-(3-chloroazulen-1-yl)pyridine
CID 127025394
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]
CID 158426402
1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene
CID 157232417
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
2-chloro-1-methylfluoren-9-one
CID 132580137

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one?
The IUPAC name of 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one (CID 130380056) is 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one.
What is the SMILES notation for 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one?
The canonical SMILES for 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one is O=C1c2ccccc2-c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)cc3Cl)c21.
What is the InChIKey of 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one?
The InChIKey is DWGIYNWJPKSTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19ClO/c32-29-19-27(21-12-5-2-6-13-21)26(20-10-3-1-4-11-20)18-28(29)24-17-9-16-23-22-14-7-8-15-25(22)31(33)30(23)24/h1-19H.
What are the key properties of 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one?
1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one has a molecular weight of 442.95 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one is sourced from PubChem (CID 130380056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).