2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol

C45H36N4O — CID 140865149

IUPAC2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCC(C)(C)c1cccc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccccc6)ccn5)c4)nccc3n2-c2ccccc2)c1O
InChIInChI=1S/C45H36N4O/c1-45(2,3)38-21-13-20-37(43(38)50)44-48-42-40(49(44)36-18-11-6-12-19-36)23-25-47-41(42)35-27-33(31-16-9-5-10-17-31)26-34(28-35)39-29-32(22-24-46-39)30-14-7-4-8-15-30/h4-29,50H,1-3H3
InChIKeySHNJQCICPOKMBM-UHFFFAOYSA-N
MW648.81 g/mol
LogP11.15
Rot. Bonds6

About 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol

2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol (PubChem CID 140865149) has the molecular formula C45H36N4O and a molecular weight of 648.81 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
PubChem CID140865149
Molecular FormulaC45H36N4O
Molecular Weight648.81 g/mol
Exact Mass648.29
IUPAC Name2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCC(C)(C)c1cccc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccccc6)ccn5)c4)nccc3n2-c2ccccc2)c1O
InChIInChI=1S/C45H36N4O/c1-45(2,3)38-21-13-20-37(43(38)50)44-48-42-40(49(44)36-18-11-6-12-19-36)23-25-47-41(42)35-27-33(31-16-9-5-10-17-31)26-34(28-35)39-29-32(22-24-46-39)30-14-7-4-8-15-30/h4-29,50H,1-3H3
InChIKeySHNJQCICPOKMBM-UHFFFAOYSA-N
XLogP11.15
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 511.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865331
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864887
2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865255
2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 176593288
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557
2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
CID 176593595
2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865219
2-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864141
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140833221
2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-[3-(4-phenylphenyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832886
2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742286

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The IUPAC name of 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol (CID 140865149) is 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol is CC(C)(C)c1cccc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccccc6)ccn5)c4)nccc3n2-c2ccccc2)c1O.
What is the InChIKey of 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The InChIKey is SHNJQCICPOKMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4O/c1-45(2,3)38-21-13-20-37(43(38)50)44-48-42-40(49(44)36-18-11-6-12-19-36)23-25-47-41(42)35-27-33(31-16-9-5-10-17-31)26-34(28-35)39-29-32(22-24-46-39)30-14-7-4-8-15-30/h4-29,50H,1-3H3.
What are the key properties of 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 648.81 g/mol, XLogP of 11.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 140865149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).