2-(1,2-diphenylethyl)-10H-anthracen-9-one

C28H22O — CID 145451035

IUPAC2-(1,2-diphenylethyl)-10H-anthracen-9-one
SMILESO=C1c2ccccc2Cc2ccc(C(Cc3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C28H22O/c29-28-25-14-8-7-13-22(25)18-23-15-16-24(19-27(23)28)26(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-16,19,26H,17-18H2
InChIKeyIJFWBWDGYUZLIW-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.20
Rot. Bonds4

About 2-(1,2-diphenylethyl)-10H-anthracen-9-one

2-(1,2-diphenylethyl)-10H-anthracen-9-one (PubChem CID 145451035) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(1,2-diphenylethyl)-10H-anthracen-9-one.

Molecular Properties

Compound Name2-(1,2-diphenylethyl)-10H-anthracen-9-one
PubChem CID145451035
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name2-(1,2-diphenylethyl)-10H-anthracen-9-one
SMILESO=C1c2ccccc2Cc2ccc(C(Cc3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C28H22O/c29-28-25-14-8-7-13-22(25)18-23-15-16-24(19-27(23)28)26(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-16,19,26H,17-18H2
InChIKeyIJFWBWDGYUZLIW-UHFFFAOYSA-N
XLogP6.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10H-anthracen-9-one;fluoren-9-one
CID 67642372
CID 89225791
CID 89225791
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171265081
10H-anthracen-9-one;ethane;methanol
CID 90976205
2,3-ditert-butyl-10H-anthracen-9-one
CID 58769690
9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene
CID 163394704
[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol
CID 145235495
3,6-dihydroxy-2-[2-(9-oxo-10H-anthracen-2-yl)propyl]thioxanthen-9-one
CID 123171302
2-naphthalen-2-yl-10H-anthracen-9-one
CID 141288908
2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 12740035
3-benzyl-9H-fluorene
CID 57310019

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenylethyl)-10H-anthracen-9-one?
The IUPAC name of 2-(1,2-diphenylethyl)-10H-anthracen-9-one (CID 145451035) is 2-(1,2-diphenylethyl)-10H-anthracen-9-one.
What is the SMILES notation for 2-(1,2-diphenylethyl)-10H-anthracen-9-one?
The canonical SMILES for 2-(1,2-diphenylethyl)-10H-anthracen-9-one is O=C1c2ccccc2Cc2ccc(C(Cc3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-(1,2-diphenylethyl)-10H-anthracen-9-one?
The InChIKey is IJFWBWDGYUZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c29-28-25-14-8-7-13-22(25)18-23-15-16-24(19-27(23)28)26(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-16,19,26H,17-18H2.
What are the key properties of 2-(1,2-diphenylethyl)-10H-anthracen-9-one?
2-(1,2-diphenylethyl)-10H-anthracen-9-one has a molecular weight of 374.48 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenylethyl)-10H-anthracen-9-one is sourced from PubChem (CID 145451035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).