4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol

C40H37N3O — CID 136609136

IUPAC4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol
SMILESCc1ccc(-c2nc(-c3cc(C(C)(C)C)cc(-n4c5ccccc5c5ccccc54)c3O)n(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C40H37N3O/c1-25-15-19-27(20-16-25)36-37(28-21-17-26(2)18-22-28)42(6)39(41-36)32-23-29(40(3,4)5)24-35(38(32)44)43-33-13-9-7-11-30(33)31-12-8-10-14-34(31)43/h7-24,44H,1-6H3
InChIKeyXGLIJCPMXWOTHT-UHFFFAOYSA-N
MW575.76 g/mol
LogP10.14
Rot. Bonds4

About 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol

4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol (PubChem CID 136609136) has the molecular formula C40H37N3O and a molecular weight of 575.76 g/mol. Its IUPAC name is 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol
PubChem CID136609136
Molecular FormulaC40H37N3O
Molecular Weight575.76 g/mol
Exact Mass575.29
IUPAC Name4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol
SMILESCc1ccc(-c2nc(-c3cc(C(C)(C)C)cc(-n4c5ccccc5c5ccccc54)c3O)n(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C40H37N3O/c1-25-15-19-27(20-16-25)36-37(28-21-17-26(2)18-22-28)42(6)39(41-36)32-23-29(40(3,4)5)24-35(38(32)44)43-33-13-9-7-11-30(33)31-12-8-10-14-34(31)43/h7-24,44H,1-6H3
InChIKeyXGLIJCPMXWOTHT-UHFFFAOYSA-N
XLogP10.14
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 510.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-[2-[3-[2-(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)-4-methylphenoxy]propoxy]-5-methylphenyl]-6-carbazol-9-ylphenol
CID 122648865
4-tert-butyl-2-carbazol-9-yl-6-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136609110
9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(2-carbazol-9-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 155636691
2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol
CID 136609130
4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol
CID 58076434
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
4-[2-(5-tert-butyl-3-formyl-2-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]benzoic acid
CID 139052478
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135981482
9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702478
4-tert-butyl-2-[2-[3-[2-(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]propoxy]phenyl]-6-carbazol-9-ylphenol;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methoxyphenoxy]propoxy]-5-methoxyphenyl]-4-methylphenol;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenoxy]propoxy]-5-methylphenyl]-4-methylphenol;2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol;2-carbazol-9-yl-6-[2-[3-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]-4-methylphenol
CID 159870085
2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol
CID 21030294

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol?
The IUPAC name of 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol (CID 136609136) is 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol.
What is the SMILES notation for 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol?
The canonical SMILES for 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol is Cc1ccc(-c2nc(-c3cc(C(C)(C)C)cc(-n4c5ccccc5c5ccccc54)c3O)n(C)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol?
The InChIKey is XGLIJCPMXWOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N3O/c1-25-15-19-27(20-16-25)36-37(28-21-17-26(2)18-22-28)42(6)39(41-36)32-23-29(40(3,4)5)24-35(38(32)44)43-33-13-9-7-11-30(33)31-12-8-10-14-34(31)43/h7-24,44H,1-6H3.
What are the key properties of 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol?
4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol has a molecular weight of 575.76 g/mol, XLogP of 10.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol is sourced from PubChem (CID 136609136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).