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

C65H60N4O2 — CID 170671676

IUPAC2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(Oc7c(C(C)C)cccc7C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C65H60N4O2/c1-43(2)51-26-19-29-56(65(6,7)8)63(51)71-50-36-37-66-61(41-50)69-57-35-32-46(64(3,4)5)38-55(57)54-34-33-49(40-60(54)69)70-48-25-17-24-47(39-48)67-42-68(59-31-16-15-30-58(59)67)62-52(44-20-11-9-12-21-44)27-18-28-53(62)45-22-13-10-14-23-45/h9-41,43H,42H2,1-8H3/i9D,10D,11D,12D,13D,14D,20D,21D,22D,23D
InChIKeyAMJJPAVZQGTXIY-VCLDCLEESA-N
MW939.28 g/mol
LogP18.06
Rot. Bonds10

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole (PubChem CID 170671676) has the molecular formula C65H60N4O2 and a molecular weight of 939.28 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole
PubChem CID170671676
Molecular FormulaC65H60N4O2
Molecular Weight939.28 g/mol
Exact Mass938.53
IUPAC Name2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(Oc7c(C(C)C)cccc7C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C65H60N4O2/c1-43(2)51-26-19-29-56(65(6,7)8)63(51)71-50-36-37-66-61(41-50)69-57-35-32-46(64(3,4)5)38-55(57)54-34-33-49(40-60(54)69)70-48-25-17-24-47(39-48)67-42-68(59-31-16-15-30-58(59)67)62-52(44-20-11-9-12-21-44)27-18-28-53(62)45-22-13-10-14-23-45/h9-41,43H,42H2,1-8H3/i9D,10D,11D,12D,13D,14D,20D,21D,22D,23D
InChIKeyAMJJPAVZQGTXIY-VCLDCLEESA-N
XLogP18.06
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.28
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-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]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-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170671759
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole
CID 170671651
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
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
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
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
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]carbazole
CID 170671555
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
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indole
CID 169031374

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole (CID 170671676) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(Oc7c(C(C)C)cccc7C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole?
The InChIKey is AMJJPAVZQGTXIY-VCLDCLEESA-N. The full InChI is InChI=1S/C65H60N4O2/c1-43(2)51-26-19-29-56(65(6,7)8)63(51)71-50-36-37-66-61(41-50)69-57-35-32-46(64(3,4)5)38-55(57)54-34-33-49(40-60(54)69)70-48-25-17-24-47(39-48)67-42-68(59-31-16-15-30-58(59)67)62-52(44-20-11-9-12-21-44)27-18-28-53(62)45-22-13-10-14-23-45/h9-41,43H,42H2,1-8H3/i9D,10D,11D,12D,13D,14D,20D,21D,22D,23D.
What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole?
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole has a molecular weight of 939.28 g/mol, XLogP of 18.06, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-tert-butyl-6-propan-2-ylphenoxy)-2-pyridinyl]carbazole is sourced from PubChem (CID 170671676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).