N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine

C62H44N2O — CID 118532801

About N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine

N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 118532801) has the molecular formula C62H44N2O and a molecular weight of 833.05 g/mol. Its IUPAC name is N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
• PubChem CID: 118532801
• Molecular Formula: C62H44N2O
• Molecular Weight: 833.05 g/mol
• Exact Mass: 832.35
• IUPAC Name: N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
• SMILES: C=Cc1ccc(N2c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc3-c3cccc4cccc2c34)cc1
• InChI: InChI=1S/C62H44N2O/c1-3-42-24-29-50(30-25-42)64-59-39-28-45(40-56(59)55-21-12-14-44-15-13-23-60(64)61(44)55)43-26-31-48(32-27-43)63(49-33-36-52(65-2)37-34-49)51-35-38-54-53-20-10-11-22-57(53)62(58(54)41-51,46-16-6-4-7-17-46)47-18-8-5-9-19-47/h3-41H,1H2,2H3
• InChIKey: HCSXAIPXJPNTJW-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.05
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine?

The IUPAC name of N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine (CID 118532801) is N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine.

What is the SMILES notation for N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine?

The canonical SMILES for N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine is C=Cc1ccc(N2c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc3-c3cccc4cccc2c34)cc1.

What is the InChIKey of N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine?

The InChIKey is HCSXAIPXJPNTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2O/c1-3-42-24-29-50(30-25-42)64-59-39-28-45(40-56(59)55-21-12-14-44-15-13-23-60(64)61(44)55)43-26-31-48(32-27-43)63(49-33-36-52(65-2)37-34-49)51-35-38-54-53-20-10-11-22-57(53)62(58(54)41-51,46-16-6-4-7-17-46)47-18-8-5-9-19-47/h3-41H,1H2,2H3.

What are the key properties of N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine?

N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 833.05 g/mol, XLogP of 16.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 118532801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).