5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine

C36H28N6 — CID 122433704

IUPAC5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine
SMILESCN1c2ccccc2N(c2ccncc2-c2cnccc2N2c3ccccc3N(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C36H28N6/c1-39-29-11-3-7-15-33(29)41(34-16-8-4-12-30(34)39)27-19-21-37-23-25(27)26-24-38-22-20-28(26)42-35-17-9-5-13-31(35)40(2)32-14-6-10-18-36(32)42/h3-24H,1-2H3
InChIKeyXLUITKLMKBWSMJ-UHFFFAOYSA-N
MW544.66 g/mol
LogP9.25
Rot. Bonds3

About 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine

5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine (PubChem CID 122433704) has the molecular formula C36H28N6 and a molecular weight of 544.66 g/mol. Its IUPAC name is 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine.

Molecular Properties

Compound Name5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine
PubChem CID122433704
Molecular FormulaC36H28N6
Molecular Weight544.66 g/mol
Exact Mass544.24
IUPAC Name5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine
SMILESCN1c2ccccc2N(c2ccncc2-c2cnccc2N2c3ccccc3N(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C36H28N6/c1-39-29-11-3-7-15-33(29)41(34-16-8-4-12-30(34)39)27-19-21-37-23-25(27)26-24-38-22-20-28(26)42-35-17-9-5-13-31(35)40(2)32-14-6-10-18-36(32)42/h3-24H,1-2H3
InChIKeyXLUITKLMKBWSMJ-UHFFFAOYSA-N
XLogP9.25
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine?
The IUPAC name of 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine (CID 122433704) is 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine.
What is the SMILES notation for 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine?
The canonical SMILES for 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine is CN1c2ccccc2N(c2ccncc2-c2cnccc2N2c3ccccc3N(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine?
The InChIKey is XLUITKLMKBWSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N6/c1-39-29-11-3-7-15-33(29)41(34-16-8-4-12-30(34)39)27-19-21-37-23-25(27)26-24-38-22-20-28(26)42-35-17-9-5-13-31(35)40(2)32-14-6-10-18-36(32)42/h3-24H,1-2H3.
What are the key properties of 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine?
5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine has a molecular weight of 544.66 g/mol, XLogP of 9.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine is sourced from PubChem (CID 122433704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).