2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole

C65H60N4O — CID 164727240

IUPAC2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(-n3c4ccc(-c5c(C)cccc5C)cc4c4ccc(Oc5cccc(N6CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc(-c8ccccc8)cc76)c5)cc43)cc2C)c([2H])c1[2H]
InChIInChI=1S/C65H60N4O/c1-42-18-16-19-43(2)63(42)48-27-30-58-56(33-48)55-29-28-54(39-60(55)69(58)62-32-44(3)57(40-66-62)46-22-14-11-15-23-46)70-53-25-17-24-51(38-53)67-41-68(52-36-49(64(4,5)6)35-50(37-52)65(7,8)9)59-31-26-47(34-61(59)67)45-20-12-10-13-21-45/h10-40H,41H2,1-9H3/i11D,14D,15D,22D,23D
InChIKeyNGZQKQZNHDHAQN-GVLUVIDLSA-N
MW918.25 g/mol
LogP17.74
Rot. Bonds8

About 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole

2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole (PubChem CID 164727240) has the molecular formula C65H60N4O and a molecular weight of 918.25 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole
PubChem CID164727240
Molecular FormulaC65H60N4O
Molecular Weight918.25 g/mol
Exact Mass917.51
IUPAC Name2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(-n3c4ccc(-c5c(C)cccc5C)cc4c4ccc(Oc5cccc(N6CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc(-c8ccccc8)cc76)c5)cc43)cc2C)c([2H])c1[2H]
InChIInChI=1S/C65H60N4O/c1-42-18-16-19-43(2)63(42)48-27-30-58-56(33-48)55-29-28-54(39-60(55)69(58)62-32-44(3)57(40-66-62)46-22-14-11-15-23-46)70-53-25-17-24-51(38-53)67-41-68(52-36-49(64(4,5)6)35-50(37-52)65(7,8)9)59-31-26-47(34-61(59)67)45-20-12-10-13-21-45/h10-40H,41H2,1-9H3/i11D,14D,15D,22D,23D
InChIKeyNGZQKQZNHDHAQN-GVLUVIDLSA-N
XLogP17.74
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.25
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole with MolForge

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Related Compounds

2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole
CID 164726858
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727384
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 164726988
9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164727386
9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 163602316
9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164726941
2-(3-bromophenoxy)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenylcarbazole
CID 168780563
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-6-phenylcarbazole
CID 158433683
2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 170780328

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole (CID 164727240) is 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4ccc(-c5c(C)cccc5C)cc4c4ccc(Oc5cccc(N6CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc(-c8ccccc8)cc76)c5)cc43)cc2C)c([2H])c1[2H].
What is the InChIKey of 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole?
The InChIKey is NGZQKQZNHDHAQN-GVLUVIDLSA-N. The full InChI is InChI=1S/C65H60N4O/c1-42-18-16-19-43(2)63(42)48-27-30-58-56(33-48)55-29-28-54(39-60(55)69(58)62-32-44(3)57(40-66-62)46-22-14-11-15-23-46)70-53-25-17-24-51(38-53)67-41-68(52-36-49(64(4,5)6)35-50(37-52)65(7,8)9)59-31-26-47(34-61(59)67)45-20-12-10-13-21-45/h10-40H,41H2,1-9H3/i11D,14D,15D,22D,23D.
What are the key properties of 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole?
2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole has a molecular weight of 918.25 g/mol, XLogP of 17.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 164727240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).