2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole

C56H42N8 — CID 143918046

IUPAC2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole
SMILESCc1ccc2c(c1)nc(-c1cnc(-c3cc(C)c(-c4ncc(-c5nc6cc(C)ccc6n5-c5ccccc5)nc4-c4ccccc4)cc3C)c(-c3ccccc3)n1)n2-c1ccccc1
InChIInChI=1S/C56H42N8/c1-35-25-27-49-45(29-35)61-55(63(49)41-21-13-7-14-22-41)47-33-57-53(51(59-47)39-17-9-5-10-18-39)43-31-38(4)44(32-37(43)3)54-52(40-19-11-6-12-20-40)60-48(34-58-54)56-62-46-30-36(2)26-28-50(46)64(56)42-23-15-8-16-24-42/h5-34H,1-4H3
InChIKeyMMGMGROBVPQXNL-UHFFFAOYSA-N
MW827.01 g/mol
LogP13.18
Rot. Bonds8

About 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole

2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole (PubChem CID 143918046) has the molecular formula C56H42N8 and a molecular weight of 827.01 g/mol. Its IUPAC name is 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole
PubChem CID143918046
Molecular FormulaC56H42N8
Molecular Weight827.01 g/mol
Exact Mass826.35
IUPAC Name2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole
SMILESCc1ccc2c(c1)nc(-c1cnc(-c3cc(C)c(-c4ncc(-c5nc6cc(C)ccc6n5-c5ccccc5)nc4-c4ccccc4)cc3C)c(-c3ccccc3)n1)n2-c1ccccc1
InChIInChI=1S/C56H42N8/c1-35-25-27-49-45(29-35)61-55(63(49)41-21-13-7-14-22-41)47-33-57-53(51(59-47)39-17-9-5-10-18-39)43-31-38(4)44(32-37(43)3)54-52(40-19-11-6-12-20-40)60-48(34-58-54)56-62-46-30-36(2)26-28-50(46)64(56)42-23-15-8-16-24-42/h5-34H,1-4H3
InChIKeyMMGMGROBVPQXNL-UHFFFAOYSA-N
XLogP13.18
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.01
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole with MolForge

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Related Compounds

5-methyl-1,2-diphenylbenzimidazole
CID 45104351
5-methyl-2-phenyl-1-pyridin-4-ylbenzimidazole
CID 59593987
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CID 70987216
2-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-1-phenylbenzimidazole
CID 167156845
5-methyl-1,2-dipyridin-2-ylbenzimidazole
CID 59593999
1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole
CID 158707390
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
CID 70958976
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
CID 132523762
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole?
The IUPAC name of 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole (CID 143918046) is 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole.
What is the SMILES notation for 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole?
The canonical SMILES for 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole is Cc1ccc2c(c1)nc(-c1cnc(-c3cc(C)c(-c4ncc(-c5nc6cc(C)ccc6n5-c5ccccc5)nc4-c4ccccc4)cc3C)c(-c3ccccc3)n1)n2-c1ccccc1.
What is the InChIKey of 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole?
The InChIKey is MMGMGROBVPQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N8/c1-35-25-27-49-45(29-35)61-55(63(49)41-21-13-7-14-22-41)47-33-57-53(51(59-47)39-17-9-5-10-18-39)43-31-38(4)44(32-37(43)3)54-52(40-19-11-6-12-20-40)60-48(34-58-54)56-62-46-30-36(2)26-28-50(46)64(56)42-23-15-8-16-24-42/h5-34H,1-4H3.
What are the key properties of 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole?
2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole has a molecular weight of 827.01 g/mol, XLogP of 13.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2,5-dimethyl-4-[5-(5-methyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]phenyl]-6-phenylpyrazin-2-yl]-5-methyl-1-phenylbenzimidazole is sourced from PubChem (CID 143918046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).