2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole

C80H66N4O — CID 168780783

About 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole

2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole (PubChem CID 168780783) has the molecular formula C80H66N4O and a molecular weight of 1102.45 g/mol. Its IUPAC name is 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
• PubChem CID: 168780783
• Molecular Formula: C80H66N4O
• Molecular Weight: 1102.45 g/mol
• Exact Mass: 1101.54
• IUPAC Name: 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
• SMILES: [2H]c1c(Oc2cc3c(cc2-c2ccccc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)c(-c3ccccc3)cn2)cc(N2CN(c3c(-c4ccc(C(C)(C)C)cc4)cccc3-c3cccc(-c4ccccc4)c3)c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C80H66N4O/c1-79(2,3)62-43-40-58(41-44-62)65-36-23-37-66(61-33-21-32-59(46-61)54-24-11-7-12-25-54)78(65)83-53-82(73-38-19-20-39-74(73)83)63-34-22-35-64(48-63)85-76-51-75-69(49-67(76)56-28-15-9-16-29-56)68-47-60(55-26-13-8-14-27-55)42-45-72(68)84(75)77-50-71(80(4,5)6)70(52-81-77)57-30-17-10-18-31-57/h7-52H,53H2,1-6H3/i22D,34D,35D
• InChIKey: VOAGJAINNILHJF-RGCJNLSISA-N
• XLogP: 21.82
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.45
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?

The IUPAC name of 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole (CID 168780783) is 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole.

What is the SMILES notation for 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?

The canonical SMILES for 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole is [2H]c1c(Oc2cc3c(cc2-c2ccccc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)c(-c3ccccc3)cn2)cc(N2CN(c3c(-c4ccc(C(C)(C)C)cc4)cccc3-c3cccc(-c4ccccc4)c3)c3ccccc32)c([2H])c1[2H].

What is the InChIKey of 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?

The InChIKey is VOAGJAINNILHJF-RGCJNLSISA-N. The full InChI is InChI=1S/C80H66N4O/c1-79(2,3)62-43-40-58(41-44-62)65-36-23-37-66(61-33-21-32-59(46-61)54-24-11-7-12-25-54)78(65)83-53-82(73-38-19-20-39-74(73)83)63-34-22-35-64(48-63)85-76-51-75-69(49-67(76)56-28-15-9-16-29-56)68-47-60(55-26-13-8-14-27-55)42-45-72(68)84(75)77-50-71(80(4,5)6)70(52-81-77)57-30-17-10-18-31-57/h7-52H,53H2,1-6H3/i22D,34D,35D.

What are the key properties of 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?

2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole has a molecular weight of 1102.45 g/mol, XLogP of 21.82, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole is sourced from PubChem (CID 168780783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).