N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine

C61H46N2 — CID 156578554

About N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine

N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine (PubChem CID 156578554) has the molecular formula C61H46N2 and a molecular weight of 807.05 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine.

Molecular Properties

• Compound Name: N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
• PubChem CID: 156578554
• Molecular Formula: C61H46N2
• Molecular Weight: 807.05 g/mol
• Exact Mass: 806.37
• IUPAC Name: N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
• SMILES: c1ccc(-c2ccccc2N(c2cc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)C3C5)cc(-n3c4ccccc4c4ccccc43)c2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C61H46N2/c1-2-15-41(16-3-1)50-18-7-11-23-58(50)62(47-28-26-40-14-4-5-17-42(40)34-47)48-35-44(36-49(38-48)63-59-24-12-8-20-53(59)54-21-9-13-25-60(54)63)43-27-29-52-51-19-6-10-22-55(51)61(57(52)37-43)46-31-39-30-45(33-46)56(61)32-39/h1-29,34-39,45-46,56H,30-33H2
• InChIKey: MFYGZUNFTJWHIW-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.05
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine?

The IUPAC name of N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine (CID 156578554) is N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine.

What is the SMILES notation for N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine?

The canonical SMILES for N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccccc2N(c2cc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)C3C5)cc(-n3c4ccccc4c4ccccc43)c2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine?

The InChIKey is MFYGZUNFTJWHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N2/c1-2-15-41(16-3-1)50-18-7-11-23-58(50)62(47-28-26-40-14-4-5-17-42(40)34-47)48-35-44(36-49(38-48)63-59-24-12-8-20-53(59)54-21-9-13-25-60(54)63)43-27-29-52-51-19-6-10-22-55(51)61(57(52)37-43)46-31-39-30-45(33-46)56(61)32-39/h1-29,34-39,45-46,56H,30-33H2.

What are the key properties of N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine?

N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine has a molecular weight of 807.05 g/mol, XLogP of 16.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 156578554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).