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

C63H64N4O — CID 155651318

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole
SMILESCc1cc2c(cc1C)N(c1cccc(-c3c(C(C)C)cccc3C(C)C)c1)CN2c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C63H64N4O/c1-39(2)51-20-12-13-21-54(51)45-33-48(36-50(34-45)68-49-26-27-56-55-22-14-15-25-57(55)67(58(56)37-49)61-35-46(28-29-64-61)63(9,10)11)66-38-65(59-30-42(7)43(8)31-60(59)66)47-19-16-18-44(32-47)62-52(40(3)4)23-17-24-53(62)41(5)6/h12-37,39-41H,38H2,1-11H3
InChIKeyZNEPPTSJGSKMGL-UHFFFAOYSA-N
MW893.23 g/mol
LogP17.84
Rot. Bonds10

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole (PubChem CID 155651318) has the molecular formula C63H64N4O and a molecular weight of 893.23 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole
PubChem CID155651318
Molecular FormulaC63H64N4O
Molecular Weight893.23 g/mol
Exact Mass892.51
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole
SMILESCc1cc2c(cc1C)N(c1cccc(-c3c(C(C)C)cccc3C(C)C)c1)CN2c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C63H64N4O/c1-39(2)51-20-12-13-21-54(51)45-33-48(36-50(34-45)68-49-26-27-56-55-22-14-15-25-57(55)67(58(56)37-49)61-35-46(28-29-64-61)63(9,10)11)66-38-65(59-30-42(7)43(8)31-60(59)66)47-19-16-18-44(32-47)62-52(40(3)4)23-17-24-53(62)41(5)6/h12-37,39-41H,38H2,1-11H3
InChIKeyZNEPPTSJGSKMGL-UHFFFAOYSA-N
XLogP17.84
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.23
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole
CID 155651327
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 172531668
2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530590
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
2-[3-(2-tert-butyl-6-propan-2-ylphenyl)-5-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 168830495
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530800
2-[3-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530266
2-[3-[3-[4-tert-butyl-2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531543
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-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
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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole (CID 155651318) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole is Cc1cc2c(cc1C)N(c1cccc(-c3c(C(C)C)cccc3C(C)C)c1)CN2c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-c2ccccc2C(C)C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole?
The InChIKey is ZNEPPTSJGSKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H64N4O/c1-39(2)51-20-12-13-21-54(51)45-33-48(36-50(34-45)68-49-26-27-56-55-22-14-15-25-57(55)67(58(56)37-49)61-35-46(28-29-64-61)63(9,10)11)66-38-65(59-30-42(7)43(8)31-60(59)66)47-19-16-18-44(32-47)62-52(40(3)4)23-17-24-53(62)41(5)6/h12-37,39-41H,38H2,1-11H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole has a molecular weight of 893.23 g/mol, XLogP of 17.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole is sourced from PubChem (CID 155651318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).