10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline

C50H34N8 — CID 174295578

IUPAC10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline
SMILESC1=CC(N2c3ccccc3N(c3ccc4c5nccnc5c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)nc5c4n3)c3ccccc32)=CCC1
InChIInChI=1S/C50H34N8/c1-3-15-33(16-4-1)55-37-19-7-11-23-41(37)57(42-24-12-8-20-38(42)55)45-29-27-35-47-48(52-32-31-51-47)36-28-30-46(54-50(36)49(35)53-45)58-43-25-13-9-21-39(43)56(34-17-5-2-6-18-34)40-22-10-14-26-44(40)58/h1,3-5,7-32H,2,6H2
InChIKeyHAZOBLQSRDJVSM-UHFFFAOYSA-N
MW746.88 g/mol
LogP13.13
Rot. Bonds4

About 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline

10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline (PubChem CID 174295578) has the molecular formula C50H34N8 and a molecular weight of 746.88 g/mol. Its IUPAC name is 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline
PubChem CID174295578
Molecular FormulaC50H34N8
Molecular Weight746.88 g/mol
Exact Mass746.29
IUPAC Name10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline
SMILESC1=CC(N2c3ccccc3N(c3ccc4c5nccnc5c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)nc5c4n3)c3ccccc32)=CCC1
InChIInChI=1S/C50H34N8/c1-3-15-33(16-4-1)55-37-19-7-11-23-41(37)57(42-24-12-8-20-38(42)55)45-29-27-35-47-48(52-32-31-51-47)36-28-30-46(54-50(36)49(35)53-45)58-43-25-13-9-21-39(43)56(34-17-5-2-6-18-34)40-22-10-14-26-44(40)58/h1,3-5,7-32H,2,6H2
InChIKeyHAZOBLQSRDJVSM-UHFFFAOYSA-N
XLogP13.13
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.88
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine
CID 129089173
5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide
CID 129089140
3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
CID 129089164
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080
10-cyclohexa-1,5-dien-1-yl-2-phenyl-5H-phenazine
CID 142508946
3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
CID 129089144
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
8-cyclohexa-1,5-dien-1-yl-11-(1-cyclohexa-1,3-dien-1-yl-1-phenylethyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 174082083
10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]
CID 139574637
5-(2-benzo[e]benzotriazol-2-ylphenyl)-10-phenylphenazine
CID 118429493
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine
CID 129089141

Frequently Asked Questions

What is the IUPAC name of 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline (CID 174295578) is 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline is C1=CC(N2c3ccccc3N(c3ccc4c5nccnc5c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)nc5c4n3)c3ccccc32)=CCC1.
What is the InChIKey of 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is HAZOBLQSRDJVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N8/c1-3-15-33(16-4-1)55-37-19-7-11-23-41(37)57(42-24-12-8-20-38(42)55)45-29-27-35-47-48(52-32-31-51-47)36-28-30-46(54-50(36)49(35)53-45)58-43-25-13-9-21-39(43)56(34-17-5-2-6-18-34)40-22-10-14-26-44(40)58/h1,3-5,7-32H,2,6H2.
What are the key properties of 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline?
10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 746.88 g/mol, XLogP of 13.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-cyclohexa-1,5-dien-1-ylphenazin-5-yl)-7-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 174295578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).