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

C64H66N4O — CID 164788744

IUPAC6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILES[2H]c1cc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c([2H])c([2H])c1[2H]
InChIInChI=1S/C64H66N4O/c1-61(2,3)44-26-30-55-54(36-44)53-29-28-49(40-57(53)68(55)59-38-46(32-33-65-59)63(7,8)9)69-50-35-47(64(10,11)12)34-48(39-50)66-41-67(58-37-45(62(4,5)6)27-31-56(58)66)60-51(42-20-15-13-16-21-42)24-19-25-52(60)43-22-17-14-18-23-43/h13-40H,41H2,1-12H3/i13D,14D,15D,16D,17D,18D,20D,21D,22D
InChIKeyOTHZMIGPWFBCIE-DTWUAQGYSA-N
MW916.31 g/mol
LogP17.74
Rot. Bonds7

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

6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 164788744) has the molecular formula C64H66N4O and a molecular weight of 916.31 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID164788744
Molecular FormulaC64H66N4O
Molecular Weight916.31 g/mol
Exact Mass915.58
IUPAC Name6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILES[2H]c1cc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c([2H])c([2H])c1[2H]
InChIInChI=1S/C64H66N4O/c1-61(2,3)44-26-30-55-54(36-44)53-29-28-49(40-57(53)68(55)59-38-46(32-33-65-59)63(7,8)9)69-50-35-47(64(10,11)12)34-48(39-50)66-41-67(58-37-45(62(4,5)6)27-31-56(58)66)60-51(42-20-15-13-16-21-42)24-19-25-52(60)43-22-17-14-18-23-43/h13-40H,41H2,1-12H3/i13D,14D,15D,16D,17D,18D,20D,21D,22D
InChIKeyOTHZMIGPWFBCIE-DTWUAQGYSA-N
XLogP17.74
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.31
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(3,5-ditert-butylphenoxy)-2-pyridinyl]carbazole
CID 170671539
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenoxy]-2-pyridinyl]carbazole
CID 170671587
6-tert-butyl-2-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 170780290
6-tert-butyl-2-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652666
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
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
7-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
CID 170780447
6-tert-butyl-2-[3-[6-tert-butyl-3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651359
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole
CID 170671734
9-[4-[2,6-bis(4-tert-butylphenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170671561
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-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 158408346

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 164788744) is 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is [2H]c1cc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c([2H])c([2H])c1[2H].
What is the InChIKey of 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is OTHZMIGPWFBCIE-DTWUAQGYSA-N. The full InChI is InChI=1S/C64H66N4O/c1-61(2,3)44-26-30-55-54(36-44)53-29-28-49(40-57(53)68(55)59-38-46(32-33-65-59)63(7,8)9)69-50-35-47(64(10,11)12)34-48(39-50)66-41-67(58-37-45(62(4,5)6)27-31-56(58)66)60-51(42-20-15-13-16-21-42)24-19-25-52(60)43-22-17-14-18-23-43/h13-40H,41H2,1-12H3/i13D,14D,15D,16D,17D,18D,20D,21D,22D.
What are the key properties of 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 916.31 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 164788744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).