10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine

C54H34N6 — CID 164767859

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccccc3)c3cc(-c5ccccc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc5c34)n2)cc1
InChIInChI=1S/C54H34N6/c1-7-19-35(20-8-1)43-34-44-46(51-50(43)56-48(37-23-11-3-12-24-37)49(57-51)38-25-13-4-14-26-38)42-32-31-41(33-45(42)55-47(44)36-21-9-2-10-22-36)54-59-52(39-27-15-5-16-28-39)58-53(60-54)40-29-17-6-18-30-40/h1-34H
InChIKeyHYTYIKKRRYFLIL-UHFFFAOYSA-N
MW766.91 g/mol
LogP13.19
Rot. Bonds7

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine (PubChem CID 164767859) has the molecular formula C54H34N6 and a molecular weight of 766.91 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine
PubChem CID164767859
Molecular FormulaC54H34N6
Molecular Weight766.91 g/mol
Exact Mass766.28
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccccc3)c3cc(-c5ccccc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc5c34)n2)cc1
InChIInChI=1S/C54H34N6/c1-7-19-35(20-8-1)43-34-44-46(51-50(43)56-48(37-23-11-3-12-24-37)49(57-51)38-25-13-4-14-26-38)42-32-31-41(33-45(42)55-47(44)36-21-9-2-10-22-36)54-59-52(39-27-15-5-16-28-39)58-53(60-54)40-29-17-6-18-30-40/h1-34H
InChIKeyHYTYIKKRRYFLIL-UHFFFAOYSA-N
XLogP13.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.91
LogP ≤ 513.19
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

2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 164767937
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165383408
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332224
4-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)benzonitrile
CID 167064325
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
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
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471965
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,7-triphenylpyrazino[2,3-k]phenanthridine
CID 164767771
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383012
3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146549029

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine (CID 164767859) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccccc3)c3cc(-c5ccccc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc5c34)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine?
The InChIKey is HYTYIKKRRYFLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N6/c1-7-19-35(20-8-1)43-34-44-46(51-50(43)56-48(37-23-11-3-12-24-37)49(57-51)38-25-13-4-14-26-38)42-32-31-41(33-45(42)55-47(44)36-21-9-2-10-22-36)54-59-52(39-27-15-5-16-28-39)58-53(60-54)40-29-17-6-18-30-40/h1-34H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine has a molecular weight of 766.91 g/mol, XLogP of 13.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine is sourced from PubChem (CID 164767859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).