3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole

C92H104N4O2 — CID 176641839

About 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole

3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 176641839) has the molecular formula C92H104N4O2 and a molecular weight of 1297.87 g/mol. Its IUPAC name is 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 176641839
• Molecular Formula: C92H104N4O2
• Molecular Weight: 1297.87 g/mol
• Exact Mass: 1296.82
• IUPAC Name: 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
• SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2CN(c3cc(Oc4ccc5c6c7oc8ccccc8c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)c3ccccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C92H104N4O2/c1-85(2,3)59-40-41-93-80(52-59)96-77-39-38-69-68-30-25-28-35-79(68)98-84(69)82(77)70-37-36-66(54-78(70)96)97-67-47-58(81-73(91(19,20)21)31-29-32-74(81)92(22,23)24)46-65(53-67)94-55-95(76-34-27-26-33-75(76)94)83-71(56-42-60(86(4,5)6)48-61(43-56)87(7,8)9)50-64(90(16,17)18)51-72(83)57-44-62(88(10,11)12)49-63(45-57)89(13,14)15/h25-54H,55H2,1-24H3
• InChIKey: QSSRZHZBHYQBCN-UHFFFAOYSA-N
• XLogP: 26.50
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.87
LogP ≤ 5	26.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole (CID 176641839) is 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2CN(c3cc(Oc4ccc5c6c7oc8ccccc8c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)c3ccccc32)cc(C(C)(C)C)c1.

What is the InChIKey of 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?

The InChIKey is QSSRZHZBHYQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H104N4O2/c1-85(2,3)59-40-41-93-80(52-59)96-77-39-38-69-68-30-25-28-35-79(68)98-84(69)82(77)70-37-36-66(54-78(70)96)97-67-47-58(81-73(91(19,20)21)31-29-32-74(81)92(22,23)24)46-65(53-67)94-55-95(76-34-27-26-33-75(76)94)83-71(56-42-60(86(4,5)6)48-61(43-56)87(7,8)9)50-64(90(16,17)18)51-72(83)57-44-62(88(10,11)12)49-63(45-57)89(13,14)15/h25-54H,55H2,1-24H3.

What are the key properties of 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?

3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1297.87 g/mol, XLogP of 26.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 176641839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).