5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine

C53H42N8 — CID 164705865

IUPAC5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine
SMILESCN1c2ccccc2N(c2cc(-c3nc4ccccc4n3C)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C53H42N8/c1-55-39-21-7-13-27-45(39)59(46-28-14-8-22-40(46)55)35-33-36(53-54-37-19-5-6-20-38(37)58(53)4)52(61-49-31-17-11-25-43(49)57(3)44-26-12-18-32-50(44)61)51(34-35)60-47-29-15-9-23-41(47)56(2)42-24-10-16-30-48(42)60/h5-34H,1-4H3
InChIKeyLROQHTLDHZKVKS-UHFFFAOYSA-N
MW790.98 g/mol
LogP13.89
Rot. Bonds4

About 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine

5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine (PubChem CID 164705865) has the molecular formula C53H42N8 and a molecular weight of 790.98 g/mol. Its IUPAC name is 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine.

Molecular Properties

Compound Name5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine
PubChem CID164705865
Molecular FormulaC53H42N8
Molecular Weight790.98 g/mol
Exact Mass790.35
IUPAC Name5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine
SMILESCN1c2ccccc2N(c2cc(-c3nc4ccccc4n3C)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C53H42N8/c1-55-39-21-7-13-27-45(39)59(46-28-14-8-22-40(46)55)35-33-36(53-54-37-19-5-6-20-38(37)58(53)4)52(61-49-31-17-11-25-43(49)57(3)44-26-12-18-32-50(44)61)51(34-35)60-47-29-15-9-23-41(47)56(2)42-24-10-16-30-48(42)60/h5-34H,1-4H3
InChIKeyLROQHTLDHZKVKS-UHFFFAOYSA-N
XLogP13.89
TPSA37.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.98
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine
CID 164705905
9,9-dimethyl-10-[2,3,4-tris(9,9-dimethylacridin-10-yl)-5-[3-(1-methylbenzimidazol-2-yl)phenyl]phenyl]acridine
CID 164705863
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
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
1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
CID 143996079
1-methyl-2-(2-methylsulfanylphenyl)benzimidazole
CID 19866681
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82481745
3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline
CID 63020855
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
4-bromo-3-(1-methylbenzimidazol-2-yl)aniline
CID 113281116

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine?
The IUPAC name of 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine (CID 164705865) is 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine.
What is the SMILES notation for 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine?
The canonical SMILES for 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine is CN1c2ccccc2N(c2cc(-c3nc4ccccc4n3C)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine?
The InChIKey is LROQHTLDHZKVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N8/c1-55-39-21-7-13-27-45(39)59(46-28-14-8-22-40(46)55)35-33-36(53-54-37-19-5-6-20-38(37)58(53)4)52(61-49-31-17-11-25-43(49)57(3)44-26-12-18-32-50(44)61)51(34-35)60-47-29-15-9-23-41(47)56(2)42-24-10-16-30-48(42)60/h5-34H,1-4H3.
What are the key properties of 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine?
5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine has a molecular weight of 790.98 g/mol, XLogP of 13.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-[2-(1-methylbenzimidazol-2-yl)-4,6-bis(10-methylphenazin-5-yl)phenyl]phenazine is sourced from PubChem (CID 164705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).