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

C129H90N2 — CID 167610990

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

3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 167610990) has the molecular formula C129H90N2 and a molecular weight of 1668.15 g/mol. Its IUPAC name is 3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 167610990
• Molecular Formula: C129H90N2
• Molecular Weight: 1668.15 g/mol
• Exact Mass: 1666.71
• IUPAC Name: 3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc31)c1ccccc1-2.C=Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc31)c1ccccc1-2
• InChI: InChI=1S/C66H47N.C63H43N/c1-4-43-17-8-9-22-52(43)48-32-37-58-55-25-12-15-28-61(55)66(64(58)41-48)60-27-14-11-24-54(60)57-36-31-47(40-63(57)66)46-20-16-21-50(39-46)67(49-33-29-45(30-34-49)44-18-6-5-7-19-44)51-35-38-56-53-23-10-13-26-59(53)65(2,3)62(56)42-51;1-2-43-16-9-10-23-54(43)50-33-39-58-56-25-12-14-27-60(56)63(62(58)42-50)59-26-13-11-24-55(59)57-38-32-49(41-61(57)63)48-21-15-22-53(40-48)64(51-34-28-46(29-35-51)44-17-5-3-6-18-44)52-36-30-47(31-37-52)45-19-7-4-8-20-45/h4-42H,1H2,2-3H3;2-42H,1H2
• InChIKey: LAVFUOQZUTZNEG-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'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 167610990) is 3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-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'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc31)c1ccccc1-2.C=Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc31)c1ccccc1-2.

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

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

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

3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-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'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 167610990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).