2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole

C70H76N4O — CID 157148331

IUPAC2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole
SMILESCC(C)c1cc(C(C)C)c(-c2ccnc(-n3c4cc(Oc5cc(-c6ccccc6)cc(N6C=CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)C6)c5)ccc4c4ccc(C(C)(C)c5ccccc5)cc43)c2)c(C(C)C)c1
InChIInChI=1S/C70H76N4O/c1-45(2)50-35-62(46(3)4)67(63(36-50)47(5)6)49-29-30-71-66(37-49)74-64-41-53(70(13,14)52-23-19-16-20-24-52)25-27-60(64)61-28-26-58(43-65(61)74)75-59-34-51(48-21-17-15-18-22-48)33-56(42-59)72-31-32-73(44-72)57-39-54(68(7,8)9)38-55(40-57)69(10,11)12/h15-43,45-47H,44H2,1-14H3
InChIKeyKLGIZXJOXURFLP-UHFFFAOYSA-N
MW989.41 g/mol
LogP19.35
Rot. Bonds12

About 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole

2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 157148331) has the molecular formula C70H76N4O and a molecular weight of 989.41 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole
PubChem CID157148331
Molecular FormulaC70H76N4O
Molecular Weight989.41 g/mol
Exact Mass988.60
IUPAC Name2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole
SMILESCC(C)c1cc(C(C)C)c(-c2ccnc(-n3c4cc(Oc5cc(-c6ccccc6)cc(N6C=CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)C6)c5)ccc4c4ccc(C(C)(C)c5ccccc5)cc43)c2)c(C(C)C)c1
InChIInChI=1S/C70H76N4O/c1-45(2)50-35-62(46(3)4)67(63(36-50)47(5)6)49-29-30-71-66(37-49)74-64-41-53(70(13,14)52-23-19-16-20-24-52)25-27-60(64)61-28-26-58(43-65(61)74)75-59-34-51(48-21-17-15-18-22-48)33-56(42-59)72-31-32-73(44-72)57-39-54(68(7,8)9)38-55(40-57)69(10,11)12/h15-43,45-47H,44H2,1-14H3
InChIKeyKLGIZXJOXURFLP-UHFFFAOYSA-N
XLogP19.35
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.41
LogP ≤ 519.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 159004416
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 159884524
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158982899
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157334163
2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162248377
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole
CID 158982897
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 155652369
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 161137639
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159366116
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 161079729
2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 160699173
9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155651105

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole (CID 157148331) is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole is CC(C)c1cc(C(C)C)c(-c2ccnc(-n3c4cc(Oc5cc(-c6ccccc6)cc(N6C=CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)C6)c5)ccc4c4ccc(C(C)(C)c5ccccc5)cc43)c2)c(C(C)C)c1.
What is the InChIKey of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole?
The InChIKey is KLGIZXJOXURFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H76N4O/c1-45(2)50-35-62(46(3)4)67(63(36-50)47(5)6)49-29-30-71-66(37-49)74-64-41-53(70(13,14)52-23-19-16-20-24-52)25-27-60(64)61-28-26-58(43-65(61)74)75-59-34-51(48-21-17-15-18-22-48)33-56(42-59)72-31-32-73(44-72)57-39-54(68(7,8)9)38-55(40-57)69(10,11)12/h15-43,45-47H,44H2,1-14H3.
What are the key properties of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole?
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole has a molecular weight of 989.41 g/mol, XLogP of 19.35, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-7-(2-phenylpropan-2-yl)-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 157148331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).