2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine

C38H30N4 — CID 11734255

IUPAC2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(C#Cc3ccc(C#Cc4ccc5c(c4)N(C)c4ccccc4N5C)cc3)ccc21
InChIInChI=1S/C38H30N4/c1-39-31-9-5-7-11-33(31)41(3)37-25-29(21-23-35(37)39)19-17-27-13-15-28(16-14-27)18-20-30-22-24-36-38(26-30)42(4)34-12-8-6-10-32(34)40(36)2/h5-16,21-26H,1-4H3
InChIKeyOXVBTTPUQLQBHG-UHFFFAOYSA-N
MW542.69 g/mol
LogP8.18
Rot. Bonds

About 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine

2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine (PubChem CID 11734255) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine.

Molecular Properties

Compound Name2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine
PubChem CID11734255
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(C#Cc3ccc(C#Cc4ccc5c(c4)N(C)c4ccccc4N5C)cc3)ccc21
InChIInChI=1S/C38H30N4/c1-39-31-9-5-7-11-33(31)41(3)37-25-29(21-23-35(37)39)19-17-27-13-15-28(16-14-27)18-20-30-22-24-36-38(26-30)42(4)34-12-8-6-10-32(34)40(36)2/h5-16,21-26H,1-4H3
InChIKeyOXVBTTPUQLQBHG-UHFFFAOYSA-N
XLogP8.18
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-5,10-dimethylphenazine
CID 70972708
5,10-dimethyl-2-phenylphenazine
CID 22055373
2-ethenyl-5,10-dimethylphenazine
CID 22055360
1,2-dimethyl-4-[2-(4-phenylphenyl)ethynyl]benzene
CID 143505044
CID 140653551
CID 140653551
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328
1,5-dimethyl-2,4-dioxo-1,5-benzodiazepine-7-carbonitrile
CID 70656402
(E)-4-(5,10-dimethylphenazin-2-yl)but-3-en-2-one
CID 21235336
7-[3-(1,3-dioxoisoindol-2-yl)prop-1-ynyl]-1-ethyl-3,3,5-trimethyl-1,5-benzodiazepine-2,4-dione
CID 70656745
5,7,10-trimethyl-2,3-diphenylphenazine
CID 18761853
5-ethynyl-2-methylisoindole-1,3-dione;2-methyl-5-(2-phenylethynyl)isoindole-1,3-dione
CID 160590417
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine?
The IUPAC name of 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine (CID 11734255) is 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine.
What is the SMILES notation for 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine?
The canonical SMILES for 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine is CN1c2ccccc2N(C)c2cc(C#Cc3ccc(C#Cc4ccc5c(c4)N(C)c4ccccc4N5C)cc3)ccc21.
What is the InChIKey of 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine?
The InChIKey is OXVBTTPUQLQBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-39-31-9-5-7-11-33(31)41(3)37-25-29(21-23-35(37)39)19-17-27-13-15-28(16-14-27)18-20-30-22-24-36-38(26-30)42(4)34-12-8-6-10-32(34)40(36)2/h5-16,21-26H,1-4H3.
What are the key properties of 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine?
2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine has a molecular weight of 542.69 g/mol, XLogP of 8.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine is sourced from PubChem (CID 11734255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).