2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

C73H74N4O — CID 158477233

IUPAC2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
SMILESCC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C(C)(C)C)c3)C(C(C)(C)c3ccccc3)=C2C(C)(C)c2ccccc2)c1
InChIInChI=1S/C73H74N4O/c1-69(2,3)55-34-25-35-58(43-55)75-49-76(68(73(11,12)54-32-23-16-24-33-54)67(75)72(9,10)53-30-21-15-22-31-53)59-44-57(70(4,5)6)45-61(47-59)78-60-37-38-62-63-42-51(50-26-17-13-18-27-50)36-39-64(63)77(65(62)48-60)66-46-56(40-41-74-66)71(7,8)52-28-19-14-20-29-52/h13-48H,49H2,1-12H3
InChIKeyXVWACROKEYCYNE-UHFFFAOYSA-N
MW1023.42 g/mol
LogP19.01
Rot. Bonds12

About 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 158477233) has the molecular formula C73H74N4O and a molecular weight of 1023.42 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
PubChem CID158477233
Molecular FormulaC73H74N4O
Molecular Weight1023.42 g/mol
Exact Mass1022.59
IUPAC Name2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
SMILESCC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C(C)(C)C)c3)C(C(C)(C)c3ccccc3)=C2C(C)(C)c2ccccc2)c1
InChIInChI=1S/C73H74N4O/c1-69(2,3)55-34-25-35-58(43-55)75-49-76(68(73(11,12)54-32-23-16-24-33-54)67(75)72(9,10)53-30-21-15-22-31-53)59-44-57(70(4,5)6)45-61(47-59)78-60-37-38-62-63-42-51(50-26-17-13-18-27-50)36-39-64(63)77(65(62)48-60)66-46-56(40-41-74-66)71(7,8)52-28-19-14-20-29-52/h13-48H,49H2,1-12H3
InChIKeyXVWACROKEYCYNE-UHFFFAOYSA-N
XLogP19.01
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.42
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 159537153
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 161253412
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 159717140
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 160769614
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161189296
2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 160849063
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 158552716
6-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 158248853
2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 160624158
2-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 155652686
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162102791
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-6-phenylcarbazole
CID 158433683

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 158477233) is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C(C)(C)C)c3)C(C(C)(C)c3ccccc3)=C2C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?
The InChIKey is XVWACROKEYCYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H74N4O/c1-69(2,3)55-34-25-35-58(43-55)75-49-76(68(73(11,12)54-32-23-16-24-33-54)67(75)72(9,10)53-30-21-15-22-31-53)59-44-57(70(4,5)6)45-61(47-59)78-60-37-38-62-63-42-51(50-26-17-13-18-27-50)36-39-64(63)77(65(62)48-60)66-46-56(40-41-74-66)71(7,8)52-28-19-14-20-29-52/h13-48H,49H2,1-12H3.
What are the key properties of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 1023.42 g/mol, XLogP of 19.01, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 158477233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).