5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine

C65H50N12 — CID 164705850

IUPAC5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine
SMILESCN1c2ccccc2N(c2c(-c3ccccc3)c(N3c4ccccc4N(C)c4ccccc43)c(-c3nc4cccnc4n3C)c(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3cccnc3n2C)c2ccccc21
InChIInChI=1S/C65H50N12/c1-70-44-27-9-15-33-50(44)75(51-34-16-10-28-45(51)70)59-56(41-23-7-6-8-24-41)60(76-52-35-17-11-29-46(52)71(2)47-30-12-18-36-53(47)76)58(65-69-43-26-22-40-67-63(43)74(65)5)61(57(59)64-68-42-25-21-39-66-62(42)73(64)4)77-54-37-19-13-31-48(54)72(3)49-32-14-20-38-55(49)77/h6-40H,1-5H3
InChIKeyOASBXLCRDKKAMB-UHFFFAOYSA-N
MW999.20 g/mol
LogP15.90
Rot. Bonds6

About 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine

5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine (PubChem CID 164705850) has the molecular formula C65H50N12 and a molecular weight of 999.20 g/mol. Its IUPAC name is 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine.

Molecular Properties

Compound Name5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine
PubChem CID164705850
Molecular FormulaC65H50N12
Molecular Weight999.20 g/mol
Exact Mass998.43
IUPAC Name5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine
SMILESCN1c2ccccc2N(c2c(-c3ccccc3)c(N3c4ccccc4N(C)c4ccccc43)c(-c3nc4cccnc4n3C)c(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3cccnc3n2C)c2ccccc21
InChIInChI=1S/C65H50N12/c1-70-44-27-9-15-33-50(44)75(51-34-16-10-28-45(51)70)59-56(41-23-7-6-8-24-41)60(76-52-35-17-11-29-46(52)71(2)47-30-12-18-36-53(47)76)58(65-69-43-26-22-40-67-63(43)74(65)5)61(57(59)64-68-42-25-21-39-66-62(42)73(64)4)77-54-37-19-13-31-48(54)72(3)49-32-14-20-38-55(49)77/h6-40H,1-5H3
InChIKeyOASBXLCRDKKAMB-UHFFFAOYSA-N
XLogP15.90
TPSA80.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.20
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine?
The IUPAC name of 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine (CID 164705850) is 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine.
What is the SMILES notation for 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine?
The canonical SMILES for 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine is CN1c2ccccc2N(c2c(-c3ccccc3)c(N3c4ccccc4N(C)c4ccccc43)c(-c3nc4cccnc4n3C)c(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3cccnc3n2C)c2ccccc21.
What is the InChIKey of 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine?
The InChIKey is OASBXLCRDKKAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N12/c1-70-44-27-9-15-33-50(44)75(51-34-16-10-28-45(51)70)59-56(41-23-7-6-8-24-41)60(76-52-35-17-11-29-46(52)71(2)47-30-12-18-36-53(47)76)58(65-69-43-26-22-40-67-63(43)74(65)5)61(57(59)64-68-42-25-21-39-66-62(42)73(64)4)77-54-37-19-13-31-48(54)72(3)49-32-14-20-38-55(49)77/h6-40H,1-5H3.
What are the key properties of 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine?
5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine has a molecular weight of 999.20 g/mol, XLogP of 15.90, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(3-methylimidazo[4,5-b]pyridin-2-yl)-3,5-bis(10-methylphenazin-5-yl)-6-phenylphenyl]-10-methylphenazine is sourced from PubChem (CID 164705850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).