10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine

C52H33N7 — CID 165383389

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c6c5c4)cc3)n2)cc1
InChIInChI=1S/C52H33N7/c1-6-16-35(17-7-1)42-33-44-46(49-48(42)57-59(58-49)41-24-14-5-15-25-41)43-32-40(30-31-45(43)53-47(44)36-18-8-2-9-19-36)34-26-28-39(29-27-34)52-55-50(37-20-10-3-11-21-37)54-51(56-52)38-22-12-4-13-23-38/h1-33H
InChIKeyIVJKEALJMFDPQJ-UHFFFAOYSA-N
MW755.89 g/mol
LogP12.31
Rot. Bonds7

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine (PubChem CID 165383389) has the molecular formula C52H33N7 and a molecular weight of 755.89 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
PubChem CID165383389
Molecular FormulaC52H33N7
Molecular Weight755.89 g/mol
Exact Mass755.28
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c6c5c4)cc3)n2)cc1
InChIInChI=1S/C52H33N7/c1-6-16-35(17-7-1)42-33-44-46(49-48(42)57-59(58-49)41-24-14-5-15-25-41)43-32-40(30-31-45(43)53-47(44)36-18-8-2-9-19-36)34-26-28-39(29-27-34)52-55-50(37-20-10-3-11-21-37)54-51(56-52)38-22-12-4-13-23-38/h1-33H
InChIKeyIVJKEALJMFDPQJ-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

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383012
10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
CID 165382835
6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyltriazolo[4,5-k]phenanthridine
CID 165382977
2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
CID 165383368
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 165383195
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,7-triphenylpyrazino[2,3-k]phenanthridine
CID 164767771
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
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165382780
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine
CID 164767859
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167619520
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165383408

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine (CID 165383389) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc(-c7ccccc7)c7nn(-c8ccccc8)nc7c6c5c4)cc3)n2)cc1.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine?
The InChIKey is IVJKEALJMFDPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7/c1-6-16-35(17-7-1)42-33-44-46(49-48(42)57-59(58-49)41-24-14-5-15-25-41)43-32-40(30-31-45(43)53-47(44)36-18-8-2-9-19-36)34-26-28-39(29-27-34)52-55-50(37-20-10-3-11-21-37)54-51(56-52)38-22-12-4-13-23-38/h1-33H.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine is sourced from PubChem (CID 165383389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).