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

C59H44N14 — CID 164705835

IUPAC5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine
SMILESCN1c2ccccc2N(c2cccc(-c3c(-c4nc5cccnc5n4C)c(-c4nc5cccnc5n4C)c(-c4ccccc4)c(-c4nc5cccnc5n4C)c3-c3nc4cccnc4n3C)c2)c2ccccc21
InChIInChI=1S/C59H44N14/c1-68-42-26-9-11-28-44(42)73(45-29-12-10-27-43(45)68)37-21-13-20-36(34-37)47-50(58-66-40-24-16-32-62-54(40)71(58)4)48(56-64-38-22-14-30-60-52(38)69(56)2)46(35-18-7-6-8-19-35)49(57-65-39-23-15-31-61-53(39)70(57)3)51(47)59-67-41-25-17-33-63-55(41)72(59)5/h6-34H,1-5H3
InChIKeyCKEGNHYNJUNITA-UHFFFAOYSA-N
MW949.10 g/mol
LogP12.37
Rot. Bonds7

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

5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine (PubChem CID 164705835) has the molecular formula C59H44N14 and a molecular weight of 949.10 g/mol. Its IUPAC name is 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine.

Molecular Properties

Compound Name5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine
PubChem CID164705835
Molecular FormulaC59H44N14
Molecular Weight949.10 g/mol
Exact Mass948.39
IUPAC Name5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine
SMILESCN1c2ccccc2N(c2cccc(-c3c(-c4nc5cccnc5n4C)c(-c4nc5cccnc5n4C)c(-c4ccccc4)c(-c4nc5cccnc5n4C)c3-c3nc4cccnc4n3C)c2)c2ccccc21
InChIInChI=1S/C59H44N14/c1-68-42-26-9-11-28-44(42)73(45-29-12-10-27-43(45)68)37-21-13-20-36(34-37)47-50(58-66-40-24-16-32-62-54(40)71(58)4)48(56-64-38-22-14-30-60-52(38)69(56)2)46(35-18-7-6-8-19-35)49(57-65-39-23-15-31-61-53(39)70(57)3)51(47)59-67-41-25-17-33-63-55(41)72(59)5/h6-34H,1-5H3
InChIKeyCKEGNHYNJUNITA-UHFFFAOYSA-N
XLogP12.37
TPSA129.32 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.10
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

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
5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine
CID 164705905
10-[2,4-bis(9,9-dimethylacridin-10-yl)-6-[4-(1-methylbenzimidazol-2-yl)phenyl]-3,5-diphenylphenyl]-9,9-dimethylacridine;5-[3-[2,3-bis(1-methylbenzimidazol-2-yl)-5,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]phenyl]-10-methylphenazine;10-[4-(9,9-dimethylacridin-10-yl)-2,5-bis[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 165003539
10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
CID 164705861
10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine
CID 164705910
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,4-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164706008
10-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-9H-acridine
CID 134165982
3-(2-methylphenyl)-2-[3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
CID 143423680
3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 59194302
5-methyl-10-[6-(10-methylphenazin-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]phenazine
CID 59220299
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164705944
9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 58732005

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine?
The IUPAC name of 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine (CID 164705835) is 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine.
What is the SMILES notation for 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine?
The canonical SMILES for 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine is CN1c2ccccc2N(c2cccc(-c3c(-c4nc5cccnc5n4C)c(-c4nc5cccnc5n4C)c(-c4ccccc4)c(-c4nc5cccnc5n4C)c3-c3nc4cccnc4n3C)c2)c2ccccc21.
What is the InChIKey of 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine?
The InChIKey is CKEGNHYNJUNITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N14/c1-68-42-26-9-11-28-44(42)73(45-29-12-10-27-43(45)68)37-21-13-20-36(34-37)47-50(58-66-40-24-16-32-62-54(40)71(58)4)48(56-64-38-22-14-30-60-52(38)69(56)2)46(35-18-7-6-8-19-35)49(57-65-39-23-15-31-61-53(39)70(57)3)51(47)59-67-41-25-17-33-63-55(41)72(59)5/h6-34H,1-5H3.
What are the key properties of 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine?
5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine has a molecular weight of 949.10 g/mol, XLogP of 12.37, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine is sourced from PubChem (CID 164705835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).