4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine

C67H46N2O — CID 176607739

About 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine

4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine (PubChem CID 176607739) has the molecular formula C67H46N2O and a molecular weight of 895.12 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine
• PubChem CID: 176607739
• Molecular Formula: C67H46N2O
• Molecular Weight: 895.12 g/mol
• Exact Mass: 894.36
• IUPAC Name: 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5oc6ccccc6c5c4)c4ccccc4-c4cccc5ccccc45)cc3)cc21
• InChI: InChI=1S/C67H46N2O/c1-67(2)60-28-10-5-22-52(60)53-38-35-45(40-61(53)67)43-33-36-47(37-34-43)68(62-29-11-6-23-54(62)51-27-16-18-44-17-3-4-21-50(44)51)49-41-58(66-59(42-49)57-26-9-14-32-65(57)70-66)46-19-15-20-48(39-46)69-63-30-12-7-24-55(63)56-25-8-13-31-64(56)69/h3-42H,1-2H3
• InChIKey: RZETUDKBFYHIBA-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.12
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine?

The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine (CID 176607739) is 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine?

The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5oc6ccccc6c5c4)c4ccccc4-c4cccc5ccccc45)cc3)cc21.

What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine?

The InChIKey is RZETUDKBFYHIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2O/c1-67(2)60-28-10-5-22-52(60)53-38-35-45(40-61(53)67)43-33-36-47(37-34-43)68(62-29-11-6-23-54(62)51-27-16-18-44-17-3-4-21-50(44)51)49-41-58(66-59(42-49)57-26-9-14-32-65(57)70-66)46-19-15-20-48(39-46)69-63-30-12-7-24-55(63)56-25-8-13-31-64(56)69/h3-42H,1-2H3.

What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine?

4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine has a molecular weight of 895.12 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176607739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).