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

C67H64N4O — CID 164726858

IUPAC2-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4ccc(Oc5cccc(N6CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7cc(-c8cccc(C(C)(C)C)c8)ccc76)c5)cc43)cc2C([2H])([2H])[2H])c([2H])c1[2H]
InChIInChI=1S/C67H64N4O/c1-44-33-64(68-42-59(44)46-21-15-12-16-22-46)71-60-31-27-48(45-19-13-11-14-20-45)35-58(60)57-30-29-56(41-62(57)71)72-55-26-18-25-53(40-55)69-43-70(54-38-51(66(5,6)7)37-52(39-54)67(8,9)10)63-36-49(28-32-61(63)69)47-23-17-24-50(34-47)65(2,3)4/h11-42H,43H2,1-10H3/i1D3,12D,15D,16D,21D,22D
InChIKeyWJQNVTAQEIJSTM-KPUQFTJYSA-N
MW949.32 g/mol
LogP18.42
Rot. Bonds9

About 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

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 (PubChem CID 164726858) has the molecular formula C67H64N4O and a molecular weight of 949.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164726858
Molecular FormulaC67H64N4O
Molecular Weight949.32 g/mol
Exact Mass948.56
IUPAC Name2-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4ccc(Oc5cccc(N6CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7cc(-c8cccc(C(C)(C)C)c8)ccc76)c5)cc43)cc2C([2H])([2H])[2H])c([2H])c1[2H]
InChIInChI=1S/C67H64N4O/c1-44-33-64(68-42-59(44)46-21-15-12-16-22-46)71-60-31-27-48(45-19-13-11-14-20-45)35-58(60)57-30-29-56(41-62(57)71)72-55-26-18-25-53(40-55)69-43-70(54-38-51(66(5,6)7)37-52(39-54)67(8,9)10)63-36-49(28-32-61(63)69)47-23-17-24-50(34-47)65(2,3)4/h11-42H,43H2,1-10H3/i1D3,12D,15D,16D,21D,22D
InChIKeyWJQNVTAQEIJSTM-KPUQFTJYSA-N
XLogP18.42
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.32
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-7-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727095
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177083037
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780590
[3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane
CID 164726868
2-[3-[3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 170780556
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
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
6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780381

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4ccc(Oc5cccc(N6CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7cc(-c8cccc(C(C)(C)C)c8)ccc76)c5)cc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is WJQNVTAQEIJSTM-KPUQFTJYSA-N. The full InChI is InChI=1S/C67H64N4O/c1-44-33-64(68-42-59(44)46-21-15-12-16-22-46)71-60-31-27-48(45-19-13-11-14-20-45)35-58(60)57-30-29-56(41-62(57)71)72-55-26-18-25-53(40-55)69-43-70(54-38-51(66(5,6)7)37-52(39-54)67(8,9)10)63-36-49(28-32-61(63)69)47-23-17-24-50(34-47)65(2,3)4/h11-42H,43H2,1-10H3/i1D3,12D,15D,16D,21D,22D.
What are the key properties of 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?
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 has a molecular weight of 949.32 g/mol, XLogP of 18.42, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164726858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).