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

C65H68N4O — CID 158904656

IUPAC2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c1)CN2c1cc(C(C)(C)C)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C65H68N4O/c1-42(2)53-25-19-26-54(43(3)4)62(53)44-28-31-58-60(34-44)67(41-68(58)50-36-47(64(8,9)10)35-48(37-50)65(11,12)45-20-14-13-15-21-45)49-22-18-23-51(39-49)70-52-29-30-56-55-24-16-17-27-57(55)69(59(56)40-52)61-38-46(32-33-66-61)63(5,6)7/h13-40,42-43H,41H2,1-12H3
InChIKeyNCLSMIAAPYZVHF-UHFFFAOYSA-N
MW921.29 g/mol
LogP18.05
Rot. Bonds10

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

2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 158904656) has the molecular formula C65H68N4O and a molecular weight of 921.29 g/mol. Its IUPAC name is 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID158904656
Molecular FormulaC65H68N4O
Molecular Weight921.29 g/mol
Exact Mass920.54
IUPAC Name2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c1)CN2c1cc(C(C)(C)C)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C65H68N4O/c1-42(2)53-25-19-26-54(43(3)4)62(53)44-28-31-58-60(34-44)67(41-68(58)50-36-47(64(8,9)10)35-48(37-50)65(11,12)45-20-14-13-15-21-45)49-22-18-23-51(39-49)70-52-29-30-56-55-24-16-17-27-57(55)69(59(56)40-52)61-38-46(32-33-66-61)63(5,6)7/h13-40,42-43H,41H2,1-12H3
InChIKeyNCLSMIAAPYZVHF-UHFFFAOYSA-N
XLogP18.05
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.29
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 158904655
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158430502
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
CID 158107969
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 157225514
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155650741
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
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-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159303635
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 158904656) is 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c1)CN2c1cc(C(C)(C)C)cc(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is NCLSMIAAPYZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H68N4O/c1-42(2)53-25-19-26-54(43(3)4)62(53)44-28-31-58-60(34-44)67(41-68(58)50-36-47(64(8,9)10)35-48(37-50)65(11,12)45-20-14-13-15-21-45)49-22-18-23-51(39-49)70-52-29-30-56-55-24-16-17-27-57(55)69(59(56)40-52)61-38-46(32-33-66-61)63(5,6)7/h13-40,42-43H,41H2,1-12H3.
What are the key properties of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 921.29 g/mol, XLogP of 18.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 158904656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).