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

C74H62N4O — CID 177105063

IUPAC2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(C(C)(C)C)c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C74H62N4O/c1-73(2,3)55-40-41-75-70(46-55)78-66-35-20-19-34-60(66)61-39-38-59(48-69(61)78)79-58-33-23-32-57(47-58)76-49-77(68-37-22-21-36-67(68)76)72-64(52-28-15-9-16-29-52)42-54(43-65(72)53-30-17-10-18-31-53)71-62(50-24-11-7-12-25-50)44-56(74(4,5)6)45-63(71)51-26-13-8-14-27-51/h7-48H,49H2,1-6H3/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,24D,25D,26D,27D,28D,29D,30D,31D,42D,43D,44D,45D
InChIKeyHRDXSEHWKGOPMB-XSSWLMDQSA-N
MW1047.48 g/mol
LogP20.15
Rot. Bonds10

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

2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 177105063) has the molecular formula C74H62N4O and a molecular weight of 1047.48 g/mol. Its IUPAC name is 2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID177105063
Molecular FormulaC74H62N4O
Molecular Weight1047.48 g/mol
Exact Mass1046.64
IUPAC Name2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(C(C)(C)C)c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C74H62N4O/c1-73(2,3)55-40-41-75-70(46-55)78-66-35-20-19-34-60(66)61-39-38-59(48-69(61)78)79-58-33-23-32-57(47-58)76-49-77(68-37-22-21-36-67(68)76)72-64(52-28-15-9-16-29-52)42-54(43-65(72)53-30-17-10-18-31-53)71-62(50-24-11-7-12-25-50)44-56(74(4,5)6)45-63(71)51-26-13-8-14-27-51/h7-48H,49H2,1-6H3/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,24D,25D,26D,27D,28D,29D,30D,31D,42D,43D,44D,45D
InChIKeyHRDXSEHWKGOPMB-XSSWLMDQSA-N
XLogP20.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.48
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177104967
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-[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
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-[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
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
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
9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-(4-deuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164749763
10-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-12-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-a]carbazole
CID 170677126
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-3-pentyl-2-propylcarbazole
CID 177128708

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 177105063) is 2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c(C(C)(C)C)c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is HRDXSEHWKGOPMB-XSSWLMDQSA-N. The full InChI is InChI=1S/C74H62N4O/c1-73(2,3)55-40-41-75-70(46-55)78-66-35-20-19-34-60(66)61-39-38-59(48-69(61)78)79-58-33-23-32-57(47-58)76-49-77(68-37-22-21-36-67(68)76)72-64(52-28-15-9-16-29-52)42-54(43-65(72)53-30-17-10-18-31-53)71-62(50-24-11-7-12-25-50)44-56(74(4,5)6)45-63(71)51-26-13-8-14-27-51/h7-48H,49H2,1-6H3/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,24D,25D,26D,27D,28D,29D,30D,31D,42D,43D,44D,45D.
What are the key properties of 2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 1047.48 g/mol, XLogP of 20.15, 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-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 177105063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).