2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol

C46H45N3O — CID 140868476

IUPAC2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cn3)c2)c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(C)n2c1
InChIInChI=1S/C46H45N3O/c1-29-21-38(44-48-42(30(2)49(44)28-29)39-25-37(45(3,4)5)26-40(43(39)50)46(6,7)8)35-22-34(32-17-13-10-14-18-32)23-36(24-35)41-20-19-33(27-47-41)31-15-11-9-12-16-31/h9-28,50H,1-8H3
InChIKeyCBBMTWAMESINSB-UHFFFAOYSA-N
MW655.89 g/mol
LogP11.98
Rot. Bonds5

About 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol

2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 140868476) has the molecular formula C46H45N3O and a molecular weight of 655.89 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID140868476
Molecular FormulaC46H45N3O
Molecular Weight655.89 g/mol
Exact Mass655.36
IUPAC Name2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cn3)c2)c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(C)n2c1
InChIInChI=1S/C46H45N3O/c1-29-21-38(44-48-42(30(2)49(44)28-29)39-25-37(45(3,4)5)26-40(43(39)50)46(6,7)8)35-22-34(32-17-13-10-14-18-32)23-36(24-35)41-20-19-33(27-47-41)31-15-11-9-12-16-31/h9-28,50H,1-8H3
InChIKeyCBBMTWAMESINSB-UHFFFAOYSA-N
XLogP11.98
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.89
LogP ≤ 511.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865261
2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864631
2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865223
2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864969
2,4-ditert-butyl-6-[3-methyl-8-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]imidazo[1,2-a]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[3-methyl-8-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]imidazo[1,2-a]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[3-methyl-8-(3-pyridin-2-ylbenzene-2-id-1-yl)imidazo[1,2-a]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[3-phenyl-8-(3-pyridin-2-ylbenzene-2-id-1-yl)imidazo[1,2-a]pyridin-2-yl]phenol;platinum
CID 159367884
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832113
2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864711
2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 140868578
2,4-ditert-butyl-6-[6-tert-butyl-1-(3,5-ditert-butylphenyl)-4-[3-(4-methyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 177093907
4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865247
2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864343
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol (CID 140868476) is 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol is Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cn3)c2)c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(C)n2c1.
What is the InChIKey of 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is CBBMTWAMESINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H45N3O/c1-29-21-38(44-48-42(30(2)49(44)28-29)39-25-37(45(3,4)5)26-40(43(39)50)46(6,7)8)35-22-34(32-17-13-10-14-18-32)23-36(24-35)41-20-19-33(27-47-41)31-15-11-9-12-16-31/h9-28,50H,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol?
2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 655.89 g/mol, XLogP of 11.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 140868476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).