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

C72H58N4O2 — CID 170671555

IUPAC2-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)C)cc(C(C)C)c3)c2Oc2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)c2)c([2H])c1[2H]
InChIInChI=1S/C72H58N4O2/c1-48(2)53-41-54(49(3)4)43-55(42-53)63-33-20-32-62(52-25-12-7-13-26-52)72(63)78-59-39-40-73-70(46-59)76-66-34-15-14-29-64(66)65-38-37-58(45-69(65)76)77-57-28-18-27-56(44-57)74-47-75(68-36-17-16-35-67(68)74)71-60(50-21-8-5-9-22-50)30-19-31-61(71)51-23-10-6-11-24-51/h5-46,48-49H,47H2,1-4H3/i7D,12D,13D,25D,26D
InChIKeyRHSDNYROOGOLBL-JPUKTLNESA-N
MW1016.31 g/mol
LogP19.93
Rot. Bonds13

About 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

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 (PubChem CID 170671555) has the molecular formula C72H58N4O2 and a molecular weight of 1016.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID170671555
Molecular FormulaC72H58N4O2
Molecular Weight1016.31 g/mol
Exact Mass1015.49
IUPAC Name2-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)C)cc(C(C)C)c3)c2Oc2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)c2)c([2H])c1[2H]
InChIInChI=1S/C72H58N4O2/c1-48(2)53-41-54(49(3)4)43-55(42-53)63-33-20-32-62(52-25-12-7-13-26-52)72(63)78-59-39-40-73-70(46-59)76-66-34-15-14-29-64(66)65-38-37-58(45-69(65)76)77-57-28-18-27-56(44-57)74-47-75(68-36-17-16-35-67(68)74)71-60(50-21-8-5-9-22-50)30-19-31-61(71)51-23-10-6-11-24-51/h5-46,48-49H,47H2,1-4H3/i7D,12D,13D,25D,26D
InChIKeyRHSDNYROOGOLBL-JPUKTLNESA-N
XLogP19.93
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.31
LogP ≤ 519.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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]-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole
CID 170671651
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-[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]-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
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
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
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]-5-tert-butylphenoxy]-9-[4-(3,5-ditert-butylphenoxy)-2-pyridinyl]carbazole
CID 170671539
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
9-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-(4-propan-2-yl-2-pyridinyl)-1,6-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.025,32.026,31]dotriaconta-2(14),3,5(13),7(12),8,10,15,17,19,21,23,25(32),26,28,30-pentadecaene
CID 171576416

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)C)cc(C(C)C)c3)c2Oc2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)c2)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is RHSDNYROOGOLBL-JPUKTLNESA-N. The full InChI is InChI=1S/C72H58N4O2/c1-48(2)53-41-54(49(3)4)43-55(42-53)63-33-20-32-62(52-25-12-7-13-26-52)72(63)78-59-39-40-73-70(46-59)76-66-34-15-14-29-64(66)65-38-37-58(45-69(65)76)77-57-28-18-27-56(44-57)74-47-75(68-36-17-16-35-67(68)74)71-60(50-21-8-5-9-22-50)30-19-31-61(71)51-23-10-6-11-24-51/h5-46,48-49H,47H2,1-4H3/i7D,12D,13D,25D,26D.
What are the key properties of 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?
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 has a molecular weight of 1016.31 g/mol, XLogP of 19.93, 13 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-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 is sourced from PubChem (CID 170671555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).