4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline

C28H18ClFN2 — CID 134689886

IUPAC4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline
SMILESFc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2cc4ccccc4nc2CC3)cc1
InChIInChI=1S/C28H18ClFN2/c29-20-9-5-17(6-10-20)23-16-27(18-7-11-21(30)12-8-18)32-28-22(23)13-14-26-24(28)15-19-3-1-2-4-25(19)31-26/h1-12,15-16H,13-14H2
InChIKeyOUKZESCBCFTVHC-UHFFFAOYSA-N
MW436.92 g/mol
LogP7.52
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline

4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline (PubChem CID 134689886) has the molecular formula C28H18ClFN2 and a molecular weight of 436.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline
PubChem CID134689886
Molecular FormulaC28H18ClFN2
Molecular Weight436.92 g/mol
Exact Mass436.11
IUPAC Name4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline
SMILESFc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2cc4ccccc4nc2CC3)cc1
InChIInChI=1S/C28H18ClFN2/c29-20-9-5-17(6-10-20)23-16-27(18-7-11-21(30)12-8-18)32-28-22(23)13-14-26-24(28)15-19-3-1-2-4-25(19)31-26/h1-12,15-16H,13-14H2
InChIKeyOUKZESCBCFTVHC-UHFFFAOYSA-N
XLogP7.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-Chloroacridine
CID 71013
3-Chloro-9-acridinamine
CID 18866
2-Chloro-6-methyl-3-phenylquinoline
CID 2781550
6,9-Dichloro-1,2,3,4-tetrahydroacridine
CID 219664
4-Chloro-2-phenylquinoline
CID 278376
6-chloro-N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 9851127
N,N'-Bis-(6-chloro-1,2,3,4-tetrahydro-acridin-9-yl)-heptane-1,7-diamine
CID 9894056
6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 23644777
N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
CID 10711007
Acridine, 3-amino-6-chloro-
CID 38501
Acridine, 9-(p-chloroanilino)-
CID 43664
N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 137633954

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline (CID 134689886) is 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline is Fc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2cc4ccccc4nc2CC3)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline?
The InChIKey is OUKZESCBCFTVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClFN2/c29-20-9-5-17(6-10-20)23-16-27(18-7-11-21(30)12-8-18)32-28-22(23)13-14-26-24(28)15-19-3-1-2-4-25(19)31-26/h1-12,15-16H,13-14H2.
What are the key properties of 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline?
4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline has a molecular weight of 436.92 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline is sourced from PubChem (CID 134689886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).