2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine

C68H55N9 — CID 89032045

IUPAC2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(-c2cccc(-c3cc(C)c(-c4cccc(-c5nc6cccnc6n5-c5ccccc5C)c4C)c(-c4cccc(-c5nc6cccnc6n5-c5ccccc5C)c4C)c3C)c2C)nc2cccnc21
InChIInChI=1S/C68H55N9/c1-40-21-9-12-33-58(40)75-63(72-55-30-18-36-69-66(55)75)51-27-15-24-48(44(51)5)54-39-43(4)61(49-25-16-28-52(45(49)6)64-73-56-31-19-37-70-67(56)76(64)59-34-13-10-22-41(59)2)62(47(54)8)50-26-17-29-53(46(50)7)65-74-57-32-20-38-71-68(57)77(65)60-35-14-11-23-42(60)3/h9-39H,1-8H3
InChIKeyLHAPKLGTRPLJFG-UHFFFAOYSA-N
MW998.25 g/mol
LogP16.36
Rot. Bonds9

About 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine

2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 89032045) has the molecular formula C68H55N9 and a molecular weight of 998.25 g/mol. Its IUPAC name is 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID89032045
Molecular FormulaC68H55N9
Molecular Weight998.25 g/mol
Exact Mass997.46
IUPAC Name2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(-c2cccc(-c3cc(C)c(-c4cccc(-c5nc6cccnc6n5-c5ccccc5C)c4C)c(-c4cccc(-c5nc6cccnc6n5-c5ccccc5C)c4C)c3C)c2C)nc2cccnc21
InChIInChI=1S/C68H55N9/c1-40-21-9-12-33-58(40)75-63(72-55-30-18-36-69-66(55)75)51-27-15-24-48(44(51)5)54-39-43(4)61(49-25-16-28-52(45(49)6)64-73-56-31-19-37-70-67(56)76(64)59-34-13-10-22-41(59)2)62(47(54)8)50-26-17-29-53(46(50)7)65-74-57-32-20-38-71-68(57)77(65)60-35-14-11-23-42(60)3/h9-39H,1-8H3
InChIKeyLHAPKLGTRPLJFG-UHFFFAOYSA-N
XLogP16.36
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.25
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine (CID 89032045) is 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine is Cc1ccccc1-n1c(-c2cccc(-c3cc(C)c(-c4cccc(-c5nc6cccnc6n5-c5ccccc5C)c4C)c(-c4cccc(-c5nc6cccnc6n5-c5ccccc5C)c4C)c3C)c2C)nc2cccnc21.
What is the InChIKey of 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is LHAPKLGTRPLJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H55N9/c1-40-21-9-12-33-58(40)75-63(72-55-30-18-36-69-66(55)75)51-27-15-24-48(44(51)5)54-39-43(4)61(49-25-16-28-52(45(49)6)64-73-56-31-19-37-70-67(56)76(64)59-34-13-10-22-41(59)2)62(47(54)8)50-26-17-29-53(46(50)7)65-74-57-32-20-38-71-68(57)77(65)60-35-14-11-23-42(60)3/h9-39H,1-8H3.
What are the key properties of 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine?
2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 998.25 g/mol, XLogP of 16.36, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 89032045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).