1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine

C46H42N8 — CID 153295102

IUPAC1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
SMILESCc1c(C)c(-c2ccccc2-c2ccc(N3CN(C)c4nccnc43)cc2)c(C)c(C)c1-c1ccccc1-c1ccc(N2CN(C)c3nccnc32)cc1
InChIInChI=1S/C46H42N8/c1-29-30(2)42(40-14-10-8-12-38(40)34-17-21-36(22-18-34)54-28-52(6)44-46(54)50-26-24-48-44)32(4)31(3)41(29)39-13-9-7-11-37(39)33-15-19-35(20-16-33)53-27-51(5)43-45(53)49-25-23-47-43/h7-26H,27-28H2,1-6H3
InChIKeyTYAZZLYKIJHSAP-UHFFFAOYSA-N
MW706.90 g/mol
LogP10.26
Rot. Bonds6

About 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine

1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine (PubChem CID 153295102) has the molecular formula C46H42N8 and a molecular weight of 706.90 g/mol. Its IUPAC name is 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
PubChem CID153295102
Molecular FormulaC46H42N8
Molecular Weight706.90 g/mol
Exact Mass706.35
IUPAC Name1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
SMILESCc1c(C)c(-c2ccccc2-c2ccc(N3CN(C)c4nccnc43)cc2)c(C)c(C)c1-c1ccccc1-c1ccc(N2CN(C)c3nccnc32)cc1
InChIInChI=1S/C46H42N8/c1-29-30(2)42(40-14-10-8-12-38(40)34-17-21-36(22-18-34)54-28-52(6)44-46(54)50-26-24-48-44)32(4)31(3)41(29)39-13-9-7-11-37(39)33-15-19-35(20-16-33)53-27-51(5)43-45(53)49-25-23-47-43/h7-26H,27-28H2,1-6H3
InChIKeyTYAZZLYKIJHSAP-UHFFFAOYSA-N
XLogP10.26
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.90
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine with MolForge

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Related Compounds

1,3-bis(4-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140758501
1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine
CID 156666849
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole
CID 156666908
3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine
CID 140794417
1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140706711
5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 166503787
2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine
CID 153458179
3-(4-chlorophenyl)-1-methyl-2H-quinazolin-4-one
CID 117059966
1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine
CID 140724071
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 172522404
2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine
CID 172694108

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine (CID 153295102) is 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine is Cc1c(C)c(-c2ccccc2-c2ccc(N3CN(C)c4nccnc43)cc2)c(C)c(C)c1-c1ccccc1-c1ccc(N2CN(C)c3nccnc32)cc1.
What is the InChIKey of 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?
The InChIKey is TYAZZLYKIJHSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N8/c1-29-30(2)42(40-14-10-8-12-38(40)34-17-21-36(22-18-34)54-28-52(6)44-46(54)50-26-24-48-44)32(4)31(3)41(29)39-13-9-7-11-37(39)33-15-19-35(20-16-33)53-27-51(5)43-45(53)49-25-23-47-43/h7-26H,27-28H2,1-6H3.
What are the key properties of 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?
1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine has a molecular weight of 706.90 g/mol, XLogP of 10.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 153295102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).