2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol

C41H38N4O — CID 162491770

IUPAC2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
SMILESCc1nn(-c2cccc(-c3cn(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c(-c4ccccc4O)n3)c2)c2ccccc12
InChIInChI=1S/C41H38N4O/c1-26(2)35-23-31(29-14-7-6-8-15-29)24-36(27(3)4)40(35)44-25-37(42-41(44)34-19-10-12-21-39(34)46)30-16-13-17-32(22-30)45-38-20-11-9-18-33(38)28(5)43-45/h6-27,46H,1-5H3
InChIKeyQUZNWJNCSPFLBY-UHFFFAOYSA-N
MW602.78 g/mol
LogP10.47
Rot. Bonds7

About 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol

2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol (PubChem CID 162491770) has the molecular formula C41H38N4O and a molecular weight of 602.78 g/mol. Its IUPAC name is 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
PubChem CID162491770
Molecular FormulaC41H38N4O
Molecular Weight602.78 g/mol
Exact Mass602.30
IUPAC Name2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
SMILESCc1nn(-c2cccc(-c3cn(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c(-c4ccccc4O)n3)c2)c2ccccc12
InChIInChI=1S/C41H38N4O/c1-26(2)35-23-31(29-14-7-6-8-15-29)24-36(27(3)4)40(35)44-25-37(42-41(44)34-19-10-12-21-39(34)46)30-16-13-17-32(22-30)45-38-20-11-9-18-33(38)28(5)43-45/h6-27,46H,1-5H3
InChIKeyQUZNWJNCSPFLBY-UHFFFAOYSA-N
XLogP10.47
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 171438742
2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 162491859
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum
CID 162491899
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum(2+)
CID 162492010
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum(2+)
CID 162491810
2-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-4-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzimidazol-2-yl]phenol
CID 167388193
2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol
CID 171732512
2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol
CID 162491784
2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum
CID 171420086
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
CID 176796279
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
3-(3-methylindazol-1-yl)benzaldehyde
CID 105497706

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol (CID 162491770) is 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol is Cc1nn(-c2cccc(-c3cn(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c(-c4ccccc4O)n3)c2)c2ccccc12.
What is the InChIKey of 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol?
The InChIKey is QUZNWJNCSPFLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O/c1-26(2)35-23-31(29-14-7-6-8-15-29)24-36(27(3)4)40(35)44-25-37(42-41(44)34-19-10-12-21-39(34)46)30-16-13-17-32(22-30)45-38-20-11-9-18-33(38)28(5)43-45/h6-27,46H,1-5H3.
What are the key properties of 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol?
2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol has a molecular weight of 602.78 g/mol, XLogP of 10.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol is sourced from PubChem (CID 162491770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).