10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine

C52H33N7 — CID 165382835

IUPAC10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
SMILESc1ccc(-c2nc3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3c3c2cc(-c2ccccc2)c2nn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C52H33N7/c1-4-14-36(15-5-1)41-33-43-49(52-51(41)57-59(58-52)40-18-8-3-9-19-40)42-30-38(26-27-44(42)56-50(43)37-16-6-2-7-17-37)34-22-24-35(25-23-34)39-31-47(45-20-10-12-28-53-45)55-48(32-39)46-21-11-13-29-54-46/h1-33H
InChIKeyGRUORBHGWCVGQE-UHFFFAOYSA-N
MW755.89 g/mol
LogP12.31
Rot. Bonds7

About 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine

10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine (PubChem CID 165382835) has the molecular formula C52H33N7 and a molecular weight of 755.89 g/mol. Its IUPAC name is 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine.

Molecular Properties

Compound Name10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
PubChem CID165382835
Molecular FormulaC52H33N7
Molecular Weight755.89 g/mol
Exact Mass755.28
IUPAC Name10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
SMILESc1ccc(-c2nc3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3c3c2cc(-c2ccccc2)c2nn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C52H33N7/c1-4-14-36(15-5-1)41-33-43-49(52-51(41)57-59(58-52)40-18-8-3-9-19-40)42-30-38(26-27-44(42)56-50(43)37-16-6-2-7-17-37)34-22-24-35(25-23-34)39-31-47(45-20-10-12-28-53-45)55-48(32-39)46-21-11-13-29-54-46/h1-33H
InChIKeyGRUORBHGWCVGQE-UHFFFAOYSA-N
XLogP12.31
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.89
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 165383195
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
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
CID 165383389
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383085
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
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-diphenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165382974
6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165383267
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383012
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323
2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
CID 165383368
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine
CID 158506980
2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 58050333

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine?
The IUPAC name of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine (CID 165382835) is 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine.
What is the SMILES notation for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine?
The canonical SMILES for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine is c1ccc(-c2nc3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3c3c2cc(-c2ccccc2)c2nn(-c4ccccc4)nc23)cc1.
What is the InChIKey of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine?
The InChIKey is GRUORBHGWCVGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7/c1-4-14-36(15-5-1)41-33-43-49(52-51(41)57-59(58-52)40-18-8-3-9-19-40)42-30-38(26-27-44(42)56-50(43)37-16-6-2-7-17-37)34-22-24-35(25-23-34)39-31-47(45-20-10-12-28-53-45)55-48(32-39)46-21-11-13-29-54-46/h1-33H.
What are the key properties of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine?
10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine has a molecular weight of 755.89 g/mol, XLogP of 12.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine is sourced from PubChem (CID 165382835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).