7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine

C65H44N2O2 — CID 58568949

About 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine

7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 58568949) has the molecular formula C65H44N2O2 and a molecular weight of 885.08 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 58568949
• Molecular Formula: C65H44N2O2
• Molecular Weight: 885.08 g/mol
• Exact Mass: 884.34
• IUPAC Name: 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: C=Cc1cccc2c1oc1c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)cc3)cccc12
• InChI: InChI=1S/C65H44N2O2/c1-4-40-14-11-20-55-56-22-13-19-48(64(56)69-62(40)55)42-28-32-44(33-29-42)66(43-30-26-41(27-31-43)47-18-12-21-54-53-17-7-10-25-61(53)68-63(47)54)45-34-36-49-50-37-35-46(39-58(50)65(2,3)57(49)38-45)67-59-23-8-5-15-51(59)52-16-6-9-24-60(52)67/h4-39H,1H2,2-3H3
• InChIKey: HPBAWUCFLKZRNR-UHFFFAOYSA-N
• XLogP: 18.34
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.08
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 58568949) is 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine is C=Cc1cccc2c1oc1c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)cc3)cccc12.

What is the InChIKey of 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is HPBAWUCFLKZRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O2/c1-4-40-14-11-20-55-56-22-13-19-48(64(56)69-62(40)55)42-28-32-44(33-29-42)66(43-30-26-41(27-31-43)47-18-12-21-54-53-17-7-10-25-61(53)68-63(47)54)45-34-36-49-50-37-35-46(39-58(50)65(2,3)57(49)38-45)67-59-23-8-5-15-51(59)52-16-6-9-24-60(52)67/h4-39H,1H2,2-3H3.

What are the key properties of 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?

7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 885.08 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 58568949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).