2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C71H70N4O — CID 176756916

IUPAC2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILES[2H]c1c([2H])c(-c2ccc(C(C)(C)C)cc2)c(C([2H])([2H])[2H])c([2H])c1-c1cccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C71H70N4O/c1-46-40-48(28-33-55(46)47-26-30-50(31-27-47)68(2,3)4)56-21-17-22-57(49-29-35-60-61(41-49)71(10,11)38-37-70(60,8)9)67(56)74-45-73(63-24-14-15-25-64(63)74)52-18-16-19-53(43-52)76-54-32-34-59-58-20-12-13-23-62(58)75(65(59)44-54)66-42-51(36-39-72-66)69(5,6)7/h12-36,39-44H,37-38,45H2,1-11H3/i1D3,28D,33D,40D
InChIKeyUSOUJQMPISZOIC-YTNNJZHCSA-N
MW1001.40 g/mol
LogP19.47
Rot. Bonds9

About 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 176756916) has the molecular formula C71H70N4O and a molecular weight of 1001.40 g/mol. Its IUPAC name is 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID176756916
Molecular FormulaC71H70N4O
Molecular Weight1001.40 g/mol
Exact Mass1000.59
IUPAC Name2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILES[2H]c1c([2H])c(-c2ccc(C(C)(C)C)cc2)c(C([2H])([2H])[2H])c([2H])c1-c1cccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C71H70N4O/c1-46-40-48(28-33-55(46)47-26-30-50(31-27-47)68(2,3)4)56-21-17-22-57(49-29-35-60-61(41-49)71(10,11)38-37-70(60,8)9)67(56)74-45-73(63-24-14-15-25-64(63)74)52-18-16-19-53(43-52)76-54-32-34-59-58-20-12-13-23-62(58)75(65(59)44-54)66-42-51(36-39-72-66)69(5,6)7/h12-36,39-44H,37-38,45H2,1-11H3/i1D3,28D,33D,40D
InChIKeyUSOUJQMPISZOIC-YTNNJZHCSA-N
XLogP19.47
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.40
LogP ≤ 519.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176756717
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083061
2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 176756935
9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole
CID 177276202
7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
CID 177276503
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177303457
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-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole
CID 176756903
9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176756820
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169024845
9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 170671606
2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177082941

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 176756916) is 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is [2H]c1c([2H])c(-c2ccc(C(C)(C)C)cc2)c(C([2H])([2H])[2H])c([2H])c1-c1cccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is USOUJQMPISZOIC-YTNNJZHCSA-N. The full InChI is InChI=1S/C71H70N4O/c1-46-40-48(28-33-55(46)47-26-30-50(31-27-47)68(2,3)4)56-21-17-22-57(49-29-35-60-61(41-49)71(10,11)38-37-70(60,8)9)67(56)74-45-73(63-24-14-15-25-64(63)74)52-18-16-19-53(43-52)76-54-32-34-59-58-20-12-13-23-62(58)75(65(59)44-54)66-42-51(36-39-72-66)69(5,6)7/h12-36,39-44H,37-38,45H2,1-11H3/i1D3,28D,33D,40D.
What are the key properties of 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 1001.40 g/mol, XLogP of 19.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176756916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).