5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine

C40H31N11 — CID 164705905

IUPAC5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine
SMILESCN1c2ccccc2N(c2c(-c3nc4cccnc4n3C)cc(-c3nc4cccnc4n3C)cc2-c2nc3cccnc3n2C)c2ccccc21
InChIInChI=1S/C40H31N11/c1-47-30-15-5-7-17-32(30)51(33-18-8-6-16-31(33)47)34-25(36-45-28-13-10-20-42-39(28)49(36)3)22-24(35-44-27-12-9-19-41-38(27)48(35)2)23-26(34)37-46-29-14-11-21-43-40(29)50(37)4/h5-23H,1-4H3
InChIKeyLZUUBPHDDRCKDN-UHFFFAOYSA-N
MW665.77 g/mol
LogP8.08
Rot. Bonds4

About 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine

5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine (PubChem CID 164705905) has the molecular formula C40H31N11 and a molecular weight of 665.77 g/mol. Its IUPAC name is 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine.

Molecular Properties

Compound Name5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine
PubChem CID164705905
Molecular FormulaC40H31N11
Molecular Weight665.77 g/mol
Exact Mass665.28
IUPAC Name5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine
SMILESCN1c2ccccc2N(c2c(-c3nc4cccnc4n3C)cc(-c3nc4cccnc4n3C)cc2-c2nc3cccnc3n2C)c2ccccc21
InChIInChI=1S/C40H31N11/c1-47-30-15-5-7-17-32(30)51(33-18-8-6-16-31(33)47)34-25(36-45-28-13-10-20-42-39(28)49(36)3)22-24(35-44-27-12-9-19-41-38(27)48(35)2)23-26(34)37-46-29-14-11-21-43-40(29)50(37)4/h5-23H,1-4H3
InChIKeyLZUUBPHDDRCKDN-UHFFFAOYSA-N
XLogP8.08
TPSA98.61 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500665.77
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine?
The IUPAC name of 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine (CID 164705905) is 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine.
What is the SMILES notation for 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine?
The canonical SMILES for 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine is CN1c2ccccc2N(c2c(-c3nc4cccnc4n3C)cc(-c3nc4cccnc4n3C)cc2-c2nc3cccnc3n2C)c2ccccc21.
What is the InChIKey of 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine?
The InChIKey is LZUUBPHDDRCKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N11/c1-47-30-15-5-7-17-32(30)51(33-18-8-6-16-31(33)47)34-25(36-45-28-13-10-20-42-39(28)49(36)3)22-24(35-44-27-12-9-19-41-38(27)48(35)2)23-26(34)37-46-29-14-11-21-43-40(29)50(37)4/h5-23H,1-4H3.
What are the key properties of 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine?
5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine has a molecular weight of 665.77 g/mol, XLogP of 8.08, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine is sourced from PubChem (CID 164705905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).