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

C67H78N4O — CID 161253412

IUPAC2-[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
SMILESCC(C)(C)C1=C(C(C)(C)C)N(c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(Oc2ccc3c4cc(-c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C(C)(C)C)c1
InChIInChI=1S/C67H78N4O/c1-62(2,3)47-32-33-68-59(40-47)71-57-31-28-45(44-24-20-18-21-25-44)34-56(57)55-30-29-53(42-58(55)71)72-54-39-49(64(7,8)9)37-52(41-54)70-43-69(60(65(10,11)12)61(70)66(13,14)15)51-36-48(63(4,5)6)35-50(38-51)67(16,17)46-26-22-19-23-27-46/h18-42H,43H2,1-17H3
InChIKeyLXPVRHXYEDHNMJ-UHFFFAOYSA-N
MW955.39 g/mol
LogP18.44
Rot. Bonds8

About 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

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 (PubChem CID 161253412) has the molecular formula C67H78N4O and a molecular weight of 955.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161253412
Molecular FormulaC67H78N4O
Molecular Weight955.39 g/mol
Exact Mass954.62
IUPAC Name2-[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
SMILESCC(C)(C)C1=C(C(C)(C)C)N(c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(Oc2ccc3c4cc(-c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C(C)(C)C)c1
InChIInChI=1S/C67H78N4O/c1-62(2,3)47-32-33-68-59(40-47)71-57-31-28-45(44-24-20-18-21-25-44)34-56(57)55-30-29-53(42-58(55)71)72-54-39-49(64(7,8)9)37-52(41-54)70-43-69(60(65(10,11)12)61(70)66(13,14)15)51-36-48(63(4,5)6)35-50(38-51)67(16,17)46-26-22-19-23-27-46/h18-42H,43H2,1-17H3
InChIKeyLXPVRHXYEDHNMJ-UHFFFAOYSA-N
XLogP18.44
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.39
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-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
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
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-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-1-yl]-5-tert-butylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 161256607
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-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893
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-tert-butyl-7-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158502494
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 162165008
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 158408346

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1=C(C(C)(C)C)N(c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(Oc2ccc3c4cc(-c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is LXPVRHXYEDHNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H78N4O/c1-62(2,3)47-32-33-68-59(40-47)71-57-31-28-45(44-24-20-18-21-25-44)34-56(57)55-30-29-53(42-58(55)71)72-54-39-49(64(7,8)9)37-52(41-54)70-43-69(60(65(10,11)12)61(70)66(13,14)15)51-36-48(63(4,5)6)35-50(38-51)67(16,17)46-26-22-19-23-27-46/h18-42H,43H2,1-17H3.
What are the key properties of 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?
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 has a molecular weight of 955.39 g/mol, XLogP of 18.44, 8 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-[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 is sourced from PubChem (CID 161253412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).