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

C78H50N12 — CID 58803402

IUPAC2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccc(-n3c(-c4cc(-c5nc6cccnc6n5-c5ccc(-c6ccccc6)cc5)c(-c5nc6cccnc6n5-c5ccc(-c6ccccc6)cc5)cc4-c4nc5cccnc5n4-c4ccc(-c5ccccc5)cc4)nc4ccncc43)cc2)cc1
InChIInChI=1S/C78H50N12/c1-5-16-51(17-6-1)55-27-35-59(36-28-55)87-71-50-79-47-43-67(71)83-72(87)63-48-65(74-85-69-25-14-45-81-77(69)89(74)61-39-31-57(32-40-61)53-20-9-3-10-21-53)66(75-86-70-26-15-46-82-78(70)90(75)62-41-33-58(34-42-62)54-22-11-4-12-23-54)49-64(63)73-84-68-24-13-44-80-76(68)88(73)60-37-29-56(30-38-60)52-18-7-2-8-19-52/h1-50H
InChIKeyWTAMSMBDVNOORR-UHFFFAOYSA-N
MW1155.34 g/mol
LogP17.96
Rot. Bonds12

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

2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine (PubChem CID 58803402) has the molecular formula C78H50N12 and a molecular weight of 1155.34 g/mol. Its IUPAC name is 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
PubChem CID58803402
Molecular FormulaC78H50N12
Molecular Weight1155.34 g/mol
Exact Mass1154.43
IUPAC Name2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccc(-n3c(-c4cc(-c5nc6cccnc6n5-c5ccc(-c6ccccc6)cc5)c(-c5nc6cccnc6n5-c5ccc(-c6ccccc6)cc5)cc4-c4nc5cccnc5n4-c4ccc(-c5ccccc5)cc4)nc4ccncc43)cc2)cc1
InChIInChI=1S/C78H50N12/c1-5-16-51(17-6-1)55-27-35-59(36-28-55)87-71-50-79-47-43-67(71)83-72(87)63-48-65(74-85-69-25-14-45-81-77(69)89(74)61-39-31-57(32-40-61)53-20-9-3-10-21-53)66(75-86-70-26-15-46-82-78(70)90(75)62-41-33-58(34-42-62)54-22-11-4-12-23-54)49-64(63)73-84-68-24-13-44-80-76(68)88(73)60-37-29-56(30-38-60)52-18-7-2-8-19-52/h1-50H
InChIKeyWTAMSMBDVNOORR-UHFFFAOYSA-N
XLogP17.96
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.34
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
4-(2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164759
2,7-ditert-butyl-9,9-dimethyl-10-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]acridine
CID 158179456
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
2-naphthalen-1-yl-3-phenylimidazo[4,5-c]pyridine
CID 134338004
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661
CID 58803437
CID 58803437
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine (CID 58803402) is 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine is c1ccc(-c2ccc(-n3c(-c4cc(-c5nc6cccnc6n5-c5ccc(-c6ccccc6)cc5)c(-c5nc6cccnc6n5-c5ccc(-c6ccccc6)cc5)cc4-c4nc5cccnc5n4-c4ccc(-c5ccccc5)cc4)nc4ccncc43)cc2)cc1.
What is the InChIKey of 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is WTAMSMBDVNOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N12/c1-5-16-51(17-6-1)55-27-35-59(36-28-55)87-71-50-79-47-43-67(71)83-72(87)63-48-65(74-85-69-25-14-45-81-77(69)89(74)61-39-31-57(32-40-61)53-20-9-3-10-21-53)66(75-86-70-26-15-46-82-78(70)90(75)62-41-33-58(34-42-62)54-22-11-4-12-23-54)49-64(63)73-84-68-24-13-44-80-76(68)88(73)60-37-29-56(30-38-60)52-18-7-2-8-19-52/h1-50H.
What are the key properties of 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine?
2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 1155.34 g/mol, XLogP of 17.96, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 58803402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).