N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine

C59H44N2O — CID 156567588

About N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine

N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine (PubChem CID 156567588) has the molecular formula C59H44N2O and a molecular weight of 797.01 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine
• PubChem CID: 156567588
• Molecular Formula: C59H44N2O
• Molecular Weight: 797.01 g/mol
• Exact Mass: 796.35
• IUPAC Name: N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC8CC5C8(C7)C6)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
• InChI: InChI=1S/C59H44N2O/c1-2-10-41(11-3-1)61-53-16-8-5-13-46(53)47-25-23-43(32-54(47)61)60(44-24-26-49-48-14-6-9-17-55(48)62-56(49)33-44)42-21-18-37(19-22-42)38-20-27-52-50(30-38)45-12-4-7-15-51(45)59(52)40-29-36-28-39-31-57(59)58(39,34-36)35-40/h1-27,30,32-33,36,39-40,57H,28-29,31,34-35H2
• InChIKey: JODKGFPLIIZRMA-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.01
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine?

The IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine (CID 156567588) is N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine.

What is the SMILES notation for N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine?

The canonical SMILES for N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC8CC5C8(C7)C6)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.

What is the InChIKey of N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine?

The InChIKey is JODKGFPLIIZRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2O/c1-2-10-41(11-3-1)61-53-16-8-5-13-46(53)47-25-23-43(32-54(47)61)60(44-24-26-49-48-14-6-9-17-55(48)62-56(49)33-44)42-21-18-37(19-22-42)38-20-27-52-50(30-38)45-12-4-7-15-51(45)59(52)40-29-36-28-39-31-57(59)58(39,34-36)35-40/h1-27,30,32-33,36,39-40,57H,28-29,31,34-35H2.

What are the key properties of N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine?

N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine has a molecular weight of 797.01 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine is sourced from PubChem (CID 156567588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).