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

C101H63N13 — CID 167596003

IUPAC8-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6c5nc(-c5ccccc5)c5cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c56)nc4c3n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c2cc(-c2ccccc2)c2nn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C52H33N7.C49H30N6/c1-4-15-35(16-5-1)42-33-43-48(52-51(42)57-59(58-52)39-19-8-3-9-20-39)41-22-14-21-40(50(41)56-49(43)37-17-6-2-7-18-37)36-27-25-34(26-28-36)38-31-46(44-23-10-12-29-53-44)55-47(32-38)45-24-11-13-30-54-45;1-5-14-31(15-6-1)39-30-40-43(49-48(39)53-55(54-49)36-20-11-4-12-21-36)38-23-13-22-37(47(38)52-44(40)33-18-9-3-10-19-33)42-29-27-35-25-24-34-26-28-41(32-16-7-2-8-17-32)50-45(34)46(35)51-42/h1-33H;1-30H
InChIKeyJBOZEOPMRSRGHN-UHFFFAOYSA-N
MW1458.71 g/mol
LogP24.20
Rot. Bonds12

About 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

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 (PubChem CID 167596003) has the molecular formula C101H63N13 and a molecular weight of 1458.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID167596003
Molecular FormulaC101H63N13
Molecular Weight1458.71 g/mol
Exact Mass1457.53
IUPAC Name8-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6c5nc(-c5ccccc5)c5cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c56)nc4c3n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c2cc(-c2ccccc2)c2nn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C52H33N7.C49H30N6/c1-4-15-35(16-5-1)42-33-43-48(52-51(42)57-59(58-52)39-19-8-3-9-20-39)41-22-14-21-40(50(41)56-49(43)37-17-6-2-7-18-37)36-27-25-34(26-28-36)38-31-46(44-23-10-12-29-53-44)55-47(32-38)45-24-11-13-30-54-45;1-5-14-31(15-6-1)39-30-40-43(49-48(39)53-55(54-49)36-20-11-4-12-21-36)38-23-13-22-37(47(38)52-44(40)33-18-9-3-10-19-33)42-29-27-35-25-24-34-26-28-41(32-16-7-2-8-17-32)50-45(34)46(35)51-42/h1-33H;1-30H
InChIKeyJBOZEOPMRSRGHN-UHFFFAOYSA-N
XLogP24.20
TPSA151.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001458.71
LogP ≤ 524.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
CID 165382835
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 165383195
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159906159
2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
CID 165383368
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159184433
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167648072
4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249271
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383085
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 174201455
11-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167541749
2-[4-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 88865382

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3ccc4ccc(-c5cccc6c5nc(-c5ccccc5)c5cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c56)nc4c3n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c2cc(-c2ccccc2)c2nn(-c4ccccc4)nc23)cc1.
What is the InChIKey of 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?
The InChIKey is JBOZEOPMRSRGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7.C49H30N6/c1-4-15-35(16-5-1)42-33-43-48(52-51(42)57-59(58-52)39-19-8-3-9-20-39)41-22-14-21-40(50(41)56-49(43)37-17-6-2-7-18-37)36-27-25-34(26-28-36)38-31-46(44-23-10-12-29-53-44)55-47(32-38)45-24-11-13-30-54-45;1-5-14-31(15-6-1)39-30-40-43(49-48(39)53-55(54-49)36-20-11-4-12-21-36)38-23-13-22-37(47(38)52-44(40)33-18-9-3-10-19-33)42-29-27-35-25-24-34-26-28-41(32-16-7-2-8-17-32)50-45(34)46(35)51-42/h1-33H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 1458.71 g/mol, XLogP of 24.20, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167596003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).