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

C29H21FN2 — CID 134689885

IUPAC2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2CCc2nc4ccccc4cc2-3)cc1
InChIInChI=1S/C29H21FN2/c1-18-6-8-19(9-7-18)24-17-28(20-10-12-22(30)13-11-20)32-29-23(24)14-15-27-25(29)16-21-4-2-3-5-26(21)31-27/h2-13,16-17H,14-15H2,1H3
InChIKeyNHOKRJPSIQCYDK-UHFFFAOYSA-N
MW416.50 g/mol
LogP7.18
Rot. Bonds2

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

2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline (PubChem CID 134689885) has the molecular formula C29H21FN2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline
PubChem CID134689885
Molecular FormulaC29H21FN2
Molecular Weight416.50 g/mol
Exact Mass416.17
IUPAC Name2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2CCc2nc4ccccc4cc2-3)cc1
InChIInChI=1S/C29H21FN2/c1-18-6-8-19(9-7-18)24-17-28(20-10-12-22(30)13-11-20)32-29-23(24)14-15-27-25(29)16-21-4-2-3-5-26(21)31-27/h2-13,16-17H,14-15H2,1H3
InChIKeyNHOKRJPSIQCYDK-UHFFFAOYSA-N
XLogP7.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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DIBENZ(a,h)ACRIDINE
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CID 65149
Benz(a)acridine
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9-Methylacridine
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CID 5721990

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline (CID 134689885) is 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline is Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2CCc2nc4ccccc4cc2-3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline?
The InChIKey is NHOKRJPSIQCYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN2/c1-18-6-8-19(9-7-18)24-17-28(20-10-12-22(30)13-11-20)32-29-23(24)14-15-27-25(29)16-21-4-2-3-5-26(21)31-27/h2-13,16-17H,14-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline?
2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline has a molecular weight of 416.50 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methylphenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline is sourced from PubChem (CID 134689885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).