1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline

C24H17BrN2 — CID 172757238

IUPAC1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline
SMILESBrc1cccc(N2c3c(ccc4cccnc34)C=CC2c2ccccc2)c1
InChIInChI=1S/C24H17BrN2/c25-20-9-4-10-21(16-20)27-22(17-6-2-1-3-7-17)14-13-19-12-11-18-8-5-15-26-23(18)24(19)27/h1-16,22H
InChIKeyLEPLATACPSNJPB-UHFFFAOYSA-N
MW413.32 g/mol
LogP6.90
Rot. Bonds2

About 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline

1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline (PubChem CID 172757238) has the molecular formula C24H17BrN2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline
PubChem CID172757238
Molecular FormulaC24H17BrN2
Molecular Weight413.32 g/mol
Exact Mass412.06
IUPAC Name1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline
SMILESBrc1cccc(N2c3c(ccc4cccnc34)C=CC2c2ccccc2)c1
InChIInChI=1S/C24H17BrN2/c25-20-9-4-10-21(16-20)27-22(17-6-2-1-3-7-17)14-13-19-12-11-18-8-5-15-26-23(18)24(19)27/h1-16,22H
InChIKeyLEPLATACPSNJPB-UHFFFAOYSA-N
XLogP6.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylsulfanylazulen-1-yl)-1-(trifluoromethylsulfonyl)-2H-1,10-phenanthroline
CID 25172369
1-bromo-2H-1,10-phenanthroline
CID 163209709
1-(3-bromophenyl)-3,3-dimethyl-4-phenylazetidin-2-one
CID 102105437
(4Z)-1-(3-bromophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108678272
8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
CID 54006808
(4Z)-1-(3-bromophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108678296
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-2-quinolin-8-ylethanone
CID 159509932
1-(3-bromophenyl)naphtho[2,1-e]benzimidazole
CID 141442654
16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene
CID 123476841
3-bromo-1,10-phenanthroline;ruthenium
CID 59061228

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline?
The IUPAC name of 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline (CID 172757238) is 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline.
What is the SMILES notation for 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline?
The canonical SMILES for 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline is Brc1cccc(N2c3c(ccc4cccnc34)C=CC2c2ccccc2)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline?
The InChIKey is LEPLATACPSNJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2/c25-20-9-4-10-21(16-20)27-22(17-6-2-1-3-7-17)14-13-19-12-11-18-8-5-15-26-23(18)24(19)27/h1-16,22H.
What are the key properties of 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline?
1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline has a molecular weight of 413.32 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline is sourced from PubChem (CID 172757238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).