9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole

C72H64N4O2 — CID 164727116

About 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole

9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole (PubChem CID 164727116) has the molecular formula C72H64N4O2 and a molecular weight of 1017.33 g/mol. Its IUPAC name is 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
• PubChem CID: 164727116
• Molecular Formula: C72H64N4O2
• Molecular Weight: 1017.33 g/mol
• Exact Mass: 1016.50
• IUPAC Name: 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
• SMILES: CC(C)(C)c1cc(N2CN(c3cccc(Oc4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc(C(C)(C)C)c(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)c7)cn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C72H64N4O2/c1-70(2,3)51-38-52(71(4,5)6)40-54(39-51)75-45-74(64-26-14-15-27-65(64)75)53-23-18-24-55(41-53)77-56-31-32-57-59-36-48(46-19-11-10-12-20-46)29-33-63(59)76(66(57)42-56)69-43-62(72(7,8)9)61(44-73-69)50-22-17-21-47(35-50)49-30-34-68-60(37-49)58-25-13-16-28-67(58)78-68/h10-44H,45H2,1-9H3
• InChIKey: VZPNOGZRDGLXQP-UHFFFAOYSA-N
• XLogP: 20.01
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.33
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole?

The IUPAC name of 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole (CID 164727116) is 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole.

What is the SMILES notation for 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole?

The canonical SMILES for 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole is CC(C)(C)c1cc(N2CN(c3cccc(Oc4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc(C(C)(C)C)c(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)c7)cn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1.

What is the InChIKey of 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole?

The InChIKey is VZPNOGZRDGLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N4O2/c1-70(2,3)51-38-52(71(4,5)6)40-54(39-51)75-45-74(64-26-14-15-27-65(64)75)53-23-18-24-55(41-53)77-56-31-32-57-59-36-48(46-19-11-10-12-20-46)29-33-63(59)76(66(57)42-56)69-43-62(72(7,8)9)61(44-73-69)50-22-17-21-47(35-50)49-30-34-68-60(37-49)58-25-13-16-28-67(58)78-68/h10-44H,45H2,1-9H3.

What are the key properties of 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole?

9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole has a molecular weight of 1017.33 g/mol, XLogP of 20.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole is sourced from PubChem (CID 164727116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).