3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C129H90N2 — CID 167620529

About 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 167620529) has the molecular formula C129H90N2 and a molecular weight of 1668.15 g/mol. Its IUPAC name is 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 167620529
• Molecular Formula: C129H90N2
• Molecular Weight: 1668.15 g/mol
• Exact Mass: 1666.71
• IUPAC Name: 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1cccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc32)c1.C=Cc1cccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc32)c1
• InChI: InChI=1S/C66H47N.C63H43N/c1-4-43-17-16-20-46(39-43)47-31-36-56-53-23-9-13-26-59(53)66(62(56)40-47)60-27-14-10-24-54(60)57-37-32-48(41-63(57)66)51-21-11-15-28-64(51)67(49-33-29-45(30-34-49)44-18-6-5-7-19-44)50-35-38-55-52-22-8-12-25-58(52)65(2,3)61(55)42-50;1-2-43-15-13-20-48(39-43)50-31-37-57-55-23-9-11-25-59(55)63(61(57)41-50)60-26-12-10-24-56(60)58-38-32-51(42-62(58)63)49-21-14-22-54(40-49)64(52-33-27-46(28-34-52)44-16-5-3-6-17-44)53-35-29-47(30-36-53)45-18-7-4-8-19-45/h4-42H,1H2,2-3H3;2-42H,1H2
• InChIKey: MJKLOJFUMRPHDX-UHFFFAOYSA-N
• XLogP: 34.26
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1668.15
LogP ≤ 5	34.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 167620529) is 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1cccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc32)c1.C=Cc1cccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc32)c1.

What is the InChIKey of 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is MJKLOJFUMRPHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N.C63H43N/c1-4-43-17-16-20-46(39-43)47-31-36-56-53-23-9-13-26-59(53)66(62(56)40-47)60-27-14-10-24-54(60)57-37-32-48(41-63(57)66)51-21-11-15-28-64(51)67(49-33-29-45(30-34-49)44-18-6-5-7-19-44)50-35-38-55-52-22-8-12-25-58(52)65(2,3)61(55)42-50;1-2-43-15-13-20-48(39-43)50-31-37-57-55-23-9-11-25-59(55)63(61(57)41-50)60-26-12-10-24-56(60)58-38-32-51(42-62(58)63)49-21-14-22-54(40-49)64(52-33-27-46(28-34-52)44-16-5-3-6-17-44)53-35-29-47(30-36-53)45-18-7-4-8-19-45/h4-42H,1H2,2-3H3;2-42H,1H2.

What are the key properties of 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1668.15 g/mol, XLogP of 34.26, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 167620529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).