4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C61H74N4O — CID 158753112

IUPAC4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2C=C(C(C)(C)c3ccccc3)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2)c1
InChIInChI=1S/C61H74N4O/c1-56(2,3)41-27-28-62-54(34-41)65-51-26-22-21-25-49(51)55-50(60(13,14)15)36-48(37-52(55)65)66-47-33-44(59(10,11)12)30-45(35-47)63-38-53(61(16,17)40-23-19-18-20-24-40)64(39-63)46-31-42(57(4,5)6)29-43(32-46)58(7,8)9/h18-38H,39H2,1-17H3
InChIKeyWUHDQDRADWWUHC-UHFFFAOYSA-N
MW879.29 g/mol
LogP16.56
Rot. Bonds7

About 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 158753112) has the molecular formula C61H74N4O and a molecular weight of 879.29 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID158753112
Molecular FormulaC61H74N4O
Molecular Weight879.29 g/mol
Exact Mass878.59
IUPAC Name4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2C=C(C(C)(C)c3ccccc3)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2)c1
InChIInChI=1S/C61H74N4O/c1-56(2,3)41-27-28-62-54(34-41)65-51-26-22-21-25-49(51)55-50(60(13,14)15)36-48(37-52(55)65)66-47-33-44(59(10,11)12)30-45(35-47)63-38-53(61(16,17)40-23-19-18-20-24-40)64(39-63)46-31-42(57(4,5)6)29-43(32-46)58(7,8)9/h18-38H,39H2,1-17H3
InChIKeyWUHDQDRADWWUHC-UHFFFAOYSA-N
XLogP16.56
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.29
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159262514
4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161323121
4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158862809
4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159559368
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159582782
6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158757323
2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158807825
2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159266601
4-tert-butyl-2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157082867
6-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159288294
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4,5-ditert-butyl-2H-imidazol-1-yl]-5-phenylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159064823
4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 158248852

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 158753112) is 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2C=C(C(C)(C)c3ccccc3)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2)c1.
What is the InChIKey of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is WUHDQDRADWWUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H74N4O/c1-56(2,3)41-27-28-62-54(34-41)65-51-26-22-21-25-49(51)55-50(60(13,14)15)36-48(37-52(55)65)66-47-33-44(59(10,11)12)30-45(35-47)63-38-53(61(16,17)40-23-19-18-20-24-40)64(39-63)46-31-42(57(4,5)6)29-43(32-46)58(7,8)9/h18-38H,39H2,1-17H3.
What are the key properties of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 879.29 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 158753112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).