2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C66H56F6N4O — CID 172531367

IUPAC2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILES[2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3c(-c4c(F)cc(F)cc4F)cc(C(C)(C)C)cc3-c3c(F)cc(F)cc3F)c3ccccc32)c1
InChIInChI=1S/C66H56F6N4O/c1-64(2,3)40-20-18-38(19-21-40)39-26-45(35-47(27-39)77-46-22-23-49-48-14-10-11-15-56(48)76(59(49)36-46)60-30-41(24-25-73-60)65(4,5)6)74-37-75(58-17-13-12-16-57(58)74)63-50(61-52(69)31-43(67)32-53(61)70)28-42(66(7,8)9)29-51(63)62-54(71)33-44(68)34-55(62)72/h10-36H,37H2,1-9H3/i18D,19D,20D,21D
InChIKeyNBQJBLCDHACTHL-UQKYHCRGSA-N
MW1039.21 g/mol
LogP18.95
Rot. Bonds8

About 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 172531367) has the molecular formula C66H56F6N4O and a molecular weight of 1039.21 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID172531367
Molecular FormulaC66H56F6N4O
Molecular Weight1039.21 g/mol
Exact Mass1038.46
IUPAC Name2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILES[2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3c(-c4c(F)cc(F)cc4F)cc(C(C)(C)C)cc3-c3c(F)cc(F)cc3F)c3ccccc32)c1
InChIInChI=1S/C66H56F6N4O/c1-64(2,3)40-20-18-38(19-21-40)39-26-45(35-47(27-39)77-46-22-23-49-48-14-10-11-15-56(48)76(59(49)36-46)60-30-41(24-25-73-60)65(4,5)6)74-37-75(58-17-13-12-16-57(58)74)63-50(61-52(69)31-43(67)32-53(61)70)28-42(66(7,8)9)29-51(63)62-54(71)33-44(68)34-55(62)72/h10-36H,37H2,1-9H3/i18D,19D,20D,21D
InChIKeyNBQJBLCDHACTHL-UQKYHCRGSA-N
XLogP18.95
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.21
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531705
2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530353
2-[3-[3-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(3,5-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530963
2-[3-tert-butyl-5-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531321
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
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-tert-butyl-5-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172534377
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-phenylphenoxy]carbazole
CID 172530566
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-tert-butylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531142
2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(3,5-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530850
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
2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530624

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 172531367) is 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is [2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3c(-c4c(F)cc(F)cc4F)cc(C(C)(C)C)cc3-c3c(F)cc(F)cc3F)c3ccccc32)c1.
What is the InChIKey of 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is NBQJBLCDHACTHL-UQKYHCRGSA-N. The full InChI is InChI=1S/C66H56F6N4O/c1-64(2,3)40-20-18-38(19-21-40)39-26-45(35-47(27-39)77-46-22-23-49-48-14-10-11-15-56(48)76(59(49)36-46)60-30-41(24-25-73-60)65(4,5)6)74-37-75(58-17-13-12-16-57(58)74)63-50(61-52(69)31-43(67)32-53(61)70)28-42(66(7,8)9)29-51(63)62-54(71)33-44(68)34-55(62)72/h10-36H,37H2,1-9H3/i18D,19D,20D,21D.
What are the key properties of 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 1039.21 g/mol, XLogP of 18.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-tert-butyl-2,6-bis(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 172531367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).