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

C63H45N9O3 — CID 20606856

IUPAC2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccccc3-c3cc(-c4ccccc4-c4nc5cccnc5n4-c4ccc(OC)cc4)cc(-c4ccccc4-c4nc5cccnc5n4-c4ccc(OC)cc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C63H45N9O3/c1-73-46-28-22-43(23-29-46)70-58(67-55-19-10-34-64-61(55)70)52-16-7-4-13-49(52)40-37-41(50-14-5-8-17-53(50)59-68-56-20-11-35-65-62(56)71(59)44-24-30-47(74-2)31-25-44)39-42(38-40)51-15-6-9-18-54(51)60-69-57-21-12-36-66-63(57)72(60)45-26-32-48(75-3)33-27-45/h4-39H,1-3H3
InChIKeyPVDHYUUTRQXPRP-UHFFFAOYSA-N
MW976.11 g/mol
LogP13.92
Rot. Bonds12

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

2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine (PubChem CID 20606856) has the molecular formula C63H45N9O3 and a molecular weight of 976.11 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
PubChem CID20606856
Molecular FormulaC63H45N9O3
Molecular Weight976.11 g/mol
Exact Mass975.36
IUPAC Name2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccccc3-c3cc(-c4ccccc4-c4nc5cccnc5n4-c4ccc(OC)cc4)cc(-c4ccccc4-c4nc5cccnc5n4-c4ccc(OC)cc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C63H45N9O3/c1-73-46-28-22-43(23-29-46)70-58(67-55-19-10-34-64-61(55)70)52-16-7-4-13-49(52)40-37-41(50-14-5-8-17-53(50)59-68-56-20-11-35-65-62(56)71(59)44-24-30-47(74-2)31-25-44)39-42(38-40)51-15-6-9-18-54(51)60-69-57-21-12-36-66-63(57)72(60)45-26-32-48(75-3)33-27-45/h4-39H,1-3H3
InChIKeyPVDHYUUTRQXPRP-UHFFFAOYSA-N
XLogP13.92
TPSA119.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.11
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine (CID 20606856) is 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine is COc1ccc(-n2c(-c3ccccc3-c3cc(-c4ccccc4-c4nc5cccnc5n4-c4ccc(OC)cc4)cc(-c4ccccc4-c4nc5cccnc5n4-c4ccc(OC)cc4)c3)nc3cccnc32)cc1.
What is the InChIKey of 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine?
The InChIKey is PVDHYUUTRQXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N9O3/c1-73-46-28-22-43(23-29-46)70-58(67-55-19-10-34-64-61(55)70)52-16-7-4-13-49(52)40-37-41(50-14-5-8-17-53(50)59-68-56-20-11-35-65-62(56)71(59)44-24-30-47(74-2)31-25-44)39-42(38-40)51-15-6-9-18-54(51)60-69-57-21-12-36-66-63(57)72(60)45-26-32-48(75-3)33-27-45/h4-39H,1-3H3.
What are the key properties of 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine?
2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine has a molecular weight of 976.11 g/mol, XLogP of 13.92, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis[2-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 20606856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).