(2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one

C26H18ClNO — CID 177409114

IUPAC(2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one
SMILESO=C1/C(=C\c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c21
InChIInChI=1S/C26H18ClNO/c27-20-12-14-22-21(16-20)24(18-9-5-2-6-10-18)25-23(28-22)13-11-19(26(25)29)15-17-7-3-1-4-8-17/h1-10,12,14-16H,11,13H2/b19-15-
InChIKeyCDYUFGBTKQXESR-CYVLTUHYSA-N
MW395.89 g/mol
LogP6.77
Rot. Bonds2

About (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one

(2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one (PubChem CID 177409114) has the molecular formula C26H18ClNO and a molecular weight of 395.89 g/mol. Its IUPAC name is (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one
PubChem CID177409114
Molecular FormulaC26H18ClNO
Molecular Weight395.89 g/mol
Exact Mass395.11
IUPAC Name(2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one
SMILESO=C1/C(=C\c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c21
InChIInChI=1S/C26H18ClNO/c27-20-12-14-22-21(16-20)24(18-9-5-2-6-10-18)25-23(28-22)13-11-19(26(25)29)15-17-7-3-1-4-8-17/h1-10,12,14-16H,11,13H2/b19-15-
InChIKeyCDYUFGBTKQXESR-CYVLTUHYSA-N
XLogP6.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-7-chloro-2-[(4-chlorophenyl)methylidene]-9-phenyl-3,4-dihydroacridin-1-one
CID 177429085
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
(2E)-2-benzylidene-7-chloro-3,4-dihydronaphthalen-1-one
CID 155364648
7,18-dichloro-10,21-diphenyl-3,14-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaene
CID 154710038
(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
CID 2313575
(2E)-2,5-bis[(4-chlorophenyl)methylidene]cyclopentan-1-one
CID 694487
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
CID 139200178
7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline
CID 45112234
7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
CID 45112236
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
3-benzylidene-6-chloro-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54496726

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one?
The IUPAC name of (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one (CID 177409114) is (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one.
What is the SMILES notation for (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one?
The canonical SMILES for (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one is O=C1/C(=C\c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c21.
What is the InChIKey of (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one?
The InChIKey is CDYUFGBTKQXESR-CYVLTUHYSA-N. The full InChI is InChI=1S/C26H18ClNO/c27-20-12-14-22-21(16-20)24(18-9-5-2-6-10-18)25-23(28-22)13-11-19(26(25)29)15-17-7-3-1-4-8-17/h1-10,12,14-16H,11,13H2/b19-15-.
What are the key properties of (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one?
(2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one has a molecular weight of 395.89 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one is sourced from PubChem (CID 177409114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).