N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine

C74H59N — CID 170303856

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine (PubChem CID 170303856) has the molecular formula C74H59N and a molecular weight of 962.29 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
• PubChem CID: 170303856
• Molecular Formula: C74H59N
• Molecular Weight: 962.29 g/mol
• Exact Mass: 961.46
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4C675)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc32)cc1
• InChI: InChI=1S/C74H59N/c1-4-20-47(21-5-1)56-32-18-22-48-23-19-33-62(71(48)56)61-31-13-17-37-68(61)75(54-39-41-60-58-30-11-15-35-64(58)74(66(60)46-54)69-44-52-43-53-45-70(74)73(52,53)69)67-36-16-12-28-55(67)49-38-40-59-57-29-10-14-34-63(57)72(65(59)42-49,50-24-6-2-7-25-50)51-26-8-3-9-27-51/h2-3,6-19,22-42,46-47,52-53,69-70H,1,4-5,20-21,43-45H2
• InChIKey: MVUXPTHRSWTUIV-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.29
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine (CID 170303856) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4C675)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc32)cc1.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine?

The InChIKey is MVUXPTHRSWTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H59N/c1-4-20-47(21-5-1)56-32-18-22-48-23-19-33-62(71(48)56)61-31-13-17-37-68(61)75(54-39-41-60-58-30-11-15-35-64(58)74(66(60)46-54)69-44-52-43-53-45-70(74)73(52,53)69)67-36-16-12-28-55(67)49-38-40-59-57-29-10-14-34-63(57)72(65(59)42-49,50-24-6-2-7-25-50)51-26-8-3-9-27-51/h2-3,6-19,22-42,46-47,52-53,69-70H,1,4-5,20-21,43-45H2.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine has a molecular weight of 962.29 g/mol, XLogP of 19.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine is sourced from PubChem (CID 170303856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).