9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine

C62H51N — CID 156568185

About 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine (PubChem CID 156568185) has the molecular formula C62H51N and a molecular weight of 810.10 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
• PubChem CID: 156568185
• Molecular Formula: C62H51N
• Molecular Weight: 810.10 g/mol
• Exact Mass: 809.40
• IUPAC Name: 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)cc3)cc21
• InChI: InChI=1S/C62H51N/c1-60(2)55-14-8-6-12-51(55)53-30-29-50(36-58(53)60)63(48-25-20-43(21-26-48)42-18-16-41(17-19-42)40-10-4-3-5-11-40)49-27-22-44(23-28-49)45-24-31-57-54(34-45)52-13-7-9-15-56(52)62(57)47-33-39-32-46-35-59(62)61(46,37-39)38-47/h3-31,34,36,39,46-47,59H,32-33,35,37-38H2,1-2H3
• InChIKey: ZYKPNDWGWFCHMI-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.10
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine (CID 156568185) is 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)cc3)cc21.

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

The InChIKey is ZYKPNDWGWFCHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N/c1-60(2)55-14-8-6-12-51(55)53-30-29-50(36-58(53)60)63(48-25-20-43(21-26-48)42-18-16-41(17-19-42)40-10-4-3-5-11-40)49-27-22-44(23-28-49)45-24-31-57-54(34-45)52-13-7-9-15-56(52)62(57)47-33-39-32-46-35-59(62)61(46,37-39)38-47/h3-31,34,36,39,46-47,59H,32-33,35,37-38H2,1-2H3.

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

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine has a molecular weight of 810.10 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 156568185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).