2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole

C77H76N4O — CID 177082811

IUPAC2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
SMILES[2H]C([2H])([2H])c1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccc(-c8ccc(C(C)(C)C)cc8)cc7)cc(C(C)(C)C)cc6-c6ccccc6C(C)(C)C)c6ccccc65)c4)cc32)ncc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C77H76N4O/c1-50-42-72(78-48-66(50)54-22-20-23-56(43-54)75(5,6)7)81-68-29-17-15-27-62(68)63-41-40-60(47-71(63)81)82-59-25-21-24-58(46-59)79-49-80(70-31-19-18-30-69(70)79)73-64(53-34-32-51(33-35-53)52-36-38-55(39-37-52)74(2,3)4)44-57(76(8,9)10)45-65(73)61-26-14-16-28-67(61)77(11,12)13/h14-48H,49H2,1-13H3/i1D3
InChIKeyNQBBDDSQASRSQN-FIBGUPNXSA-N
MW1076.50 g/mol
LogP21.38
Rot. Bonds10

About 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole

2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole (PubChem CID 177082811) has the molecular formula C77H76N4O and a molecular weight of 1076.50 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
PubChem CID177082811
Molecular FormulaC77H76N4O
Molecular Weight1076.50 g/mol
Exact Mass1075.62
IUPAC Name2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
SMILES[2H]C([2H])([2H])c1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccc(-c8ccc(C(C)(C)C)cc8)cc7)cc(C(C)(C)C)cc6-c6ccccc6C(C)(C)C)c6ccccc65)c4)cc32)ncc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C77H76N4O/c1-50-42-72(78-48-66(50)54-22-20-23-56(43-54)75(5,6)7)81-68-29-17-15-27-62(68)63-41-40-60(47-71(63)81)82-59-25-21-24-58(46-59)79-49-80(70-31-19-18-30-69(70)79)73-64(53-34-32-51(33-35-53)52-36-38-55(39-37-52)74(2,3)4)44-57(76(8,9)10)45-65(73)61-26-14-16-28-67(61)77(11,12)13/h14-48H,49H2,1-13H3/i1D3
InChIKeyNQBBDDSQASRSQN-FIBGUPNXSA-N
XLogP21.38
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.50
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
9-[4-tert-butyl-5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083076
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
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
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
2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenylcarbazole
CID 177133284
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
9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 168780284
2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-phenyl-9-[4-(trideuteriomethyl)-5-(2,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]carbazole
CID 177133303
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
[3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane
CID 164726868

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole (CID 177082811) is 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole is [2H]C([2H])([2H])c1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccc(-c8ccc(C(C)(C)C)cc8)cc7)cc(C(C)(C)C)cc6-c6ccccc6C(C)(C)C)c6ccccc65)c4)cc32)ncc1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole?
The InChIKey is NQBBDDSQASRSQN-FIBGUPNXSA-N. The full InChI is InChI=1S/C77H76N4O/c1-50-42-72(78-48-66(50)54-22-20-23-56(43-54)75(5,6)7)81-68-29-17-15-27-62(68)63-41-40-60(47-71(63)81)82-59-25-21-24-58(46-59)79-49-80(70-31-19-18-30-69(70)79)73-64(53-34-32-51(33-35-53)52-36-38-55(39-37-52)74(2,3)4)44-57(76(8,9)10)45-65(73)61-26-14-16-28-67(61)77(11,12)13/h14-48H,49H2,1-13H3/i1D3.
What are the key properties of 2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole?
2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole has a molecular weight of 1076.50 g/mol, XLogP of 21.38, 10 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-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 177082811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).