N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

C₆₃H₄₆N₂O — CID 156578364

About N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 156578364) has the molecular formula C₆₃H₄₆N₂O and a molecular weight of 847.07 g/mol. Its IUPAC name is N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
• PubChem CID: 156578364
• Molecular Formula: C₆₃H₄₆N₂O
• Molecular Weight: 847.07 g/mol
• Exact Mass: 846.36
• IUPAC Name: N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3C43C4CC5CC(C4)C3C5)cc2)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C63H46N2O/c1-2-13-41(14-3-1)47-15-4-8-20-57(47)64(60-23-12-19-52-51-18-7-11-24-61(51)66-62(52)60)45-28-25-40(26-29-45)42-27-32-54-53(37-42)48-31-30-46(38-56(48)63(54)44-34-39-33-43(36-44)55(63)35-39)65-58-21-9-5-16-49(58)50-17-6-10-22-59(50)65/h1-32,37-39,43-44,55H,33-36H2
• InChIKey: QWSIVYUQUBNVQF-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.07
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?

The IUPAC name of N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (CID 156578364) is N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?

The canonical SMILES for N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3C43C4CC5CC(C4)C3C5)cc2)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?

The InChIKey is QWSIVYUQUBNVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2O/c1-2-13-41(14-3-1)47-15-4-8-20-57(47)64(60-23-12-19-52-51-18-7-11-24-61(51)66-62(52)60)45-28-25-40(26-29-45)42-27-32-54-53(37-42)48-31-30-46(38-56(48)63(54)44-34-39-33-43(36-44)55(63)35-39)65-58-21-9-5-16-49(58)50-17-6-10-22-59(50)65/h1-32,37-39,43-44,55H,33-36H2.

What are the key properties of N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?

N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 847.07 g/mol, XLogP of 16.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 156578364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156578364 — identifiers, structure, computed properties (public domain)

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