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

C61H66N4 — CID 155651583

IUPAC2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(C(C)(C)c4cccc(N5C=CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1
InChIInChI=1S/C61H66N4/c1-57(2,3)44-27-29-54-53(38-44)52-28-26-47(39-55(52)65(54)56-40-45(30-31-62-56)58(4,5)6)61(11,12)46-24-19-25-50(35-46)63-32-33-64(41-63)51-36-48(59(7,8)42-20-15-13-16-21-42)34-49(37-51)60(9,10)43-22-17-14-18-23-43/h13-40H,41H2,1-12H3
InChIKeyCUGJUVFPGNFXNM-UHFFFAOYSA-N
MW855.23 g/mol
LogP15.51
Rot. Bonds9

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

2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651583) has the molecular formula C61H66N4 and a molecular weight of 855.23 g/mol. Its IUPAC name is 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID155651583
Molecular FormulaC61H66N4
Molecular Weight855.23 g/mol
Exact Mass854.53
IUPAC Name2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(C(C)(C)c4cccc(N5C=CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1
InChIInChI=1S/C61H66N4/c1-57(2,3)44-27-29-54-53(38-44)52-28-26-47(39-55(52)65(54)56-40-45(30-31-62-56)58(4,5)6)61(11,12)46-24-19-25-50(35-46)63-32-33-64(41-63)51-36-48(59(7,8)42-20-15-13-16-21-42)34-49(37-51)60(9,10)43-22-17-14-18-23-43/h13-40H,41H2,1-12H3
InChIKeyCUGJUVFPGNFXNM-UHFFFAOYSA-N
XLogP15.51
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.23
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157050579
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517
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-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
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-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
2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162141528
2-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651487
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161248197
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 157150987

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155651583) is 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(C(C)(C)c4cccc(N5C=CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1.
What is the InChIKey of 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is CUGJUVFPGNFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H66N4/c1-57(2,3)44-27-29-54-53(38-44)52-28-26-47(39-55(52)65(54)56-40-45(30-31-62-56)58(4,5)6)61(11,12)46-24-19-25-50(35-46)63-32-33-64(41-63)51-36-48(59(7,8)42-20-15-13-16-21-42)34-49(37-51)60(9,10)43-22-17-14-18-23-43/h13-40H,41H2,1-12H3.
What are the key properties of 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 855.23 g/mol, XLogP of 15.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).