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

C62H62N4O — CID 162102791

IUPAC2-[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
SMILESCC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccc(C(C)(C)c4ccccc4)cc32)c1
InChIInChI=1S/C62H62N4O/c1-59(2,3)44-24-19-25-48(34-44)64-41-65(55-31-28-45(37-57(55)64)61(7,8)42-20-13-11-14-21-42)49-35-47(60(4,5)6)36-51(39-49)67-50-29-30-53-52-26-17-18-27-54(52)66(56(53)40-50)58-38-46(32-33-63-58)62(9,10)43-22-15-12-16-23-43/h11-40H,41H2,1-10H3
InChIKeyONAWFNLFBAPIPV-UHFFFAOYSA-N
MW879.21 g/mol
LogP16.47
Rot. Bonds9

About 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

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 (PubChem CID 162102791) has the molecular formula C62H62N4O and a molecular weight of 879.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID162102791
Molecular FormulaC62H62N4O
Molecular Weight879.21 g/mol
Exact Mass878.49
IUPAC Name2-[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
SMILESCC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccc(C(C)(C)c4ccccc4)cc32)c1
InChIInChI=1S/C62H62N4O/c1-59(2,3)44-24-19-25-48(34-44)64-41-65(55-31-28-45(37-57(55)64)61(7,8)42-20-13-11-14-21-42)49-35-47(60(4,5)6)36-51(39-49)67-50-29-30-53-52-26-17-18-27-54(52)66(56(53)40-50)58-38-46(32-33-63-58)62(9,10)43-22-15-12-16-23-43/h11-40H,41H2,1-10H3
InChIKeyONAWFNLFBAPIPV-UHFFFAOYSA-N
XLogP16.47
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.21
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159303635
2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161005655
2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158521525
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 161429388
6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 157150290
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-7-(2-phenylpropan-2-yl)carbazole
CID 158357333
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
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
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-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
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
6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158818639

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccc(C(C)(C)c4ccccc4)cc32)c1.
What is the InChIKey of 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?
The InChIKey is ONAWFNLFBAPIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N4O/c1-59(2,3)44-24-19-25-48(34-44)64-41-65(55-31-28-45(37-57(55)64)61(7,8)42-20-13-11-14-21-42)49-35-47(60(4,5)6)36-51(39-49)67-50-29-30-53-52-26-17-18-27-54(52)66(56(53)40-50)58-38-46(32-33-63-58)62(9,10)43-22-15-12-16-23-43/h11-40H,41H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 879.21 g/mol, XLogP of 16.47, 9 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)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 162102791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).