1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine

C60H48N4O — CID 140934313

About 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine

1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 140934313) has the molecular formula C60H48N4O and a molecular weight of 841.07 g/mol. Its IUPAC name is 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 140934313
• Molecular Formula: C60H48N4O
• Molecular Weight: 841.07 g/mol
• Exact Mass: 840.38
• IUPAC Name: 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine
• SMILES: CC(C)(C)c1ccc2[nH]c3c(-c4nc5c(-c6cc(-c7ccccc7)cc(-c7nccc8c7oc7ccccc78)c6)cccc5n4-c4cccc5ccccc45)cc(C(C)(C)C)cc3c2c1
• InChI: InChI=1S/C60H48N4O/c1-59(2,3)41-26-27-50-47(33-41)48-34-42(60(4,5)6)35-49(55(48)62-50)58-63-56-44(22-15-24-52(56)64(58)51-23-14-19-37-18-10-11-20-43(37)51)39-30-38(36-16-8-7-9-17-36)31-40(32-39)54-57-46(28-29-61-54)45-21-12-13-25-53(45)65-57/h7-35,62H,1-6H3
• InChIKey: WMTNQRLLCLMURS-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 59.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.07
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine (CID 140934313) is 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine is CC(C)(C)c1ccc2[nH]c3c(-c4nc5c(-c6cc(-c7ccccc7)cc(-c7nccc8c7oc7ccccc78)c6)cccc5n4-c4cccc5ccccc45)cc(C(C)(C)C)cc3c2c1.

What is the InChIKey of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine?

The InChIKey is WMTNQRLLCLMURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N4O/c1-59(2,3)41-26-27-50-47(33-41)48-34-42(60(4,5)6)35-49(55(48)62-50)58-63-56-44(22-15-24-52(56)64(58)51-23-14-19-37-18-10-11-20-43(37)51)39-30-38(36-16-8-7-9-17-36)31-40(32-39)54-57-46(28-29-61-54)45-21-12-13-25-53(45)65-57/h7-35,62H,1-6H3.

What are the key properties of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine?

1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 841.07 g/mol, XLogP of 16.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 140934313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).