2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine

C49H30N6 — CID 165383368

IUPAC2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c56)nc4c3n2)cc1
InChIInChI=1S/C49H30N6/c1-5-13-31(14-6-1)39-30-40-44(49-48(39)53-55(54-49)37-19-11-4-12-20-37)38-26-23-36(29-43(38)52-45(40)33-17-9-3-10-18-33)42-28-25-35-22-21-34-24-27-41(32-15-7-2-8-16-32)50-46(34)47(35)51-42/h1-30H
InChIKeyUFFPBZDDYYAVGJ-UHFFFAOYSA-N
MW702.82 g/mol
LogP11.89
Rot. Bonds5

About 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine

2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine (PubChem CID 165383368) has the molecular formula C49H30N6 and a molecular weight of 702.82 g/mol. Its IUPAC name is 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine.

Molecular Properties

Compound Name2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
PubChem CID165383368
Molecular FormulaC49H30N6
Molecular Weight702.82 g/mol
Exact Mass702.25
IUPAC Name2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c56)nc4c3n2)cc1
InChIInChI=1S/C49H30N6/c1-5-13-31(14-6-1)39-30-40-44(49-48(39)53-55(54-49)37-19-11-4-12-20-37)38-26-23-36(29-43(38)52-45(40)33-17-9-3-10-18-33)42-28-25-35-22-21-34-24-27-41(32-15-7-2-8-16-32)50-46(34)47(35)51-42/h1-30H
InChIKeyUFFPBZDDYYAVGJ-UHFFFAOYSA-N
XLogP11.89
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 167651908
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383012
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
CID 165383389
8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine;2,4,6-triphenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
CID 167596003
10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
CID 165382835
1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline
CID 164716656
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 165383195
6,15,19-triphenyl-2,5,16-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20-undecaene
CID 170198117
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine
CID 164767859
2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
CID 176785086
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383085

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine?
The IUPAC name of 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine (CID 165383368) is 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine.
What is the SMILES notation for 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine?
The canonical SMILES for 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c56)nc4c3n2)cc1.
What is the InChIKey of 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine?
The InChIKey is UFFPBZDDYYAVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N6/c1-5-13-31(14-6-1)39-30-40-44(49-48(39)53-55(54-49)37-19-11-4-12-20-37)38-26-23-36(29-43(38)52-45(40)33-17-9-3-10-18-33)42-28-25-35-22-21-34-24-27-41(32-15-7-2-8-16-32)50-46(34)47(35)51-42/h1-30H.
What are the key properties of 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine?
2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine has a molecular weight of 702.82 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine is sourced from PubChem (CID 165383368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).