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

C90H92N4O — CID 177276415

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

9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole (PubChem CID 177276415) has the molecular formula C90H92N4O and a molecular weight of 1253.80 g/mol. Its IUPAC name is 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole
• PubChem CID: 177276415
• Molecular Formula: C90H92N4O
• Molecular Weight: 1253.80 g/mol
• Exact Mass: 1252.78
• IUPAC Name: 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4cc(Oc5cccc(N6CN(c7c(-c8cccc(-c9ccccc9)c8)cc(C(C)(C)C)cc7-c7c([2H])c([2H])c8c(c7[2H])C(C)(C)CCC8(C)C)c7ccccc76)c5)ccc4c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc43)cc2C(C)(C)C)c([2H])c1[2H]
• InChI: InChI=1S/C90H92N4O/c1-85(2,3)65-46-64(47-66(50-65)86(4,5)6)61-37-40-71-72-41-39-70(54-82(72)94(81(71)49-61)83-55-77(88(10,11)12)75(56-91-83)59-29-21-18-22-30-59)95-69-34-26-33-68(53-69)92-57-93(80-36-24-23-35-79(80)92)84-73(62-32-25-31-60(45-62)58-27-19-17-20-28-58)51-67(87(7,8)9)52-74(84)63-38-42-76-78(48-63)90(15,16)44-43-89(76,13)14/h17-42,45-56H,43-44,57H2,1-16H3/i18D,21D,22D,29D,30D,38D,42D,48D
• InChIKey: KSYHCSUEVYGIGL-RXNOLDKKSA-N
• XLogP: 25.09
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1253.80
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole?

The IUPAC name of 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole (CID 177276415) is 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole.

What is the SMILES notation for 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole?

The canonical SMILES for 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4cc(Oc5cccc(N6CN(c7c(-c8cccc(-c9ccccc9)c8)cc(C(C)(C)C)cc7-c7c([2H])c([2H])c8c(c7[2H])C(C)(C)CCC8(C)C)c7ccccc76)c5)ccc4c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc43)cc2C(C)(C)C)c([2H])c1[2H].

What is the InChIKey of 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole?

The InChIKey is KSYHCSUEVYGIGL-RXNOLDKKSA-N. The full InChI is InChI=1S/C90H92N4O/c1-85(2,3)65-46-64(47-66(50-65)86(4,5)6)61-37-40-71-72-41-39-70(54-82(72)94(81(71)49-61)83-55-77(88(10,11)12)75(56-91-83)59-29-21-18-22-30-59)95-69-34-26-33-68(53-69)92-57-93(80-36-24-23-35-79(80)92)84-73(62-32-25-31-60(45-62)58-27-19-17-20-28-58)51-67(87(7,8)9)52-74(84)63-38-42-76-78(48-63)90(15,16)44-43-89(76,13)14/h17-42,45-56H,43-44,57H2,1-16H3/i18D,21D,22D,29D,30D,38D,42D,48D.

What are the key properties of 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole?

9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole has a molecular weight of 1253.80 g/mol, XLogP of 25.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole is sourced from PubChem (CID 177276415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).