2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine

C63H48N12 — CID 23399527

IUPAC2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(-c2nc3cccnc3n2-c2ccccc2C)ccc1-c1nc(-c2ccc(-c3nc4cccnc4n3-c3ccccc3C)cc2C)nc(-c2ccc(-c3nc4cccnc4n3-c3ccccc3C)cc2C)n1
InChIInChI=1S/C63H48N12/c1-37-16-7-10-22-52(37)73-58(67-49-19-13-31-64-61(49)73)43-25-28-46(40(4)34-43)55-70-56(47-29-26-44(35-41(47)5)59-68-50-20-14-32-65-62(50)74(59)53-23-11-8-17-38(53)2)72-57(71-55)48-30-27-45(36-42(48)6)60-69-51-21-15-33-66-63(51)75(60)54-24-12-9-18-39(54)3/h7-36H,1-6H3
InChIKeyJTJTYRKWLJENSL-UHFFFAOYSA-N
MW973.16 g/mol
LogP13.93
Rot. Bonds9

About 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine

2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 23399527) has the molecular formula C63H48N12 and a molecular weight of 973.16 g/mol. Its IUPAC name is 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID23399527
Molecular FormulaC63H48N12
Molecular Weight973.16 g/mol
Exact Mass972.41
IUPAC Name2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(-c2nc3cccnc3n2-c2ccccc2C)ccc1-c1nc(-c2ccc(-c3nc4cccnc4n3-c3ccccc3C)cc2C)nc(-c2ccc(-c3nc4cccnc4n3-c3ccccc3C)cc2C)n1
InChIInChI=1S/C63H48N12/c1-37-16-7-10-22-52(37)73-58(67-49-19-13-31-64-61(49)73)43-25-28-46(40(4)34-43)55-70-56(47-29-26-44(35-41(47)5)59-68-50-20-14-32-65-62(50)74(59)53-23-11-8-17-38(53)2)72-57(71-55)48-30-27-45(36-42(48)6)60-69-51-21-15-33-66-63(51)75(60)54-24-12-9-18-39(54)3/h7-36H,1-6H3
InChIKeyJTJTYRKWLJENSL-UHFFFAOYSA-N
XLogP13.93
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.16
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-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-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine (CID 23399527) is 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine is Cc1cc(-c2nc3cccnc3n2-c2ccccc2C)ccc1-c1nc(-c2ccc(-c3nc4cccnc4n3-c3ccccc3C)cc2C)nc(-c2ccc(-c3nc4cccnc4n3-c3ccccc3C)cc2C)n1.
What is the InChIKey of 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is JTJTYRKWLJENSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N12/c1-37-16-7-10-22-52(37)73-58(67-49-19-13-31-64-61(49)73)43-25-28-46(40(4)34-43)55-70-56(47-29-26-44(35-41(47)5)59-68-50-20-14-32-65-62(50)74(59)53-23-11-8-17-38(53)2)72-57(71-55)48-30-27-45(36-42(48)6)60-69-51-21-15-33-66-63(51)75(60)54-24-12-9-18-39(54)3/h7-36H,1-6H3.
What are the key properties of 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine?
2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 973.16 g/mol, XLogP of 13.93, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,6-bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 23399527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).