7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C64H52N2 — CID 91310997

About 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 91310997) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• PubChem CID: 91310997
• Molecular Formula: C64H52N2
• Molecular Weight: 849.13 g/mol
• Exact Mass: 848.41
• IUPAC Name: 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• SMILES: CC1(C)c2cc(C=Cc3ccc(C=Cc4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C64H52N2/c1-63(2)59-41-47(33-37-55(59)57-39-35-53(43-61(57)63)65(49-17-9-5-10-18-49)50-19-11-6-12-20-50)31-29-45-25-27-46(28-26-45)30-32-48-34-38-56-58-40-36-54(44-62(58)64(3,4)60(56)42-48)66(51-21-13-7-14-22-51)52-23-15-8-16-24-52/h5-44H,1-4H3
• InChIKey: PCAYKHRGSPNEKJ-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.13
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The IUPAC name of 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 91310997) is 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is CC1(C)c2cc(C=Cc3ccc(C=Cc4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The InChIKey is PCAYKHRGSPNEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-63(2)59-41-47(33-37-55(59)57-39-35-53(43-61(57)63)65(49-17-9-5-10-18-49)50-19-11-6-12-20-50)31-29-45-25-27-46(28-26-45)30-32-48-34-38-56-58-40-36-54(44-62(58)64(3,4)60(56)42-48)66(51-21-13-7-14-22-51)52-23-15-8-16-24-52/h5-44H,1-4H3.

What are the key properties of 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 849.13 g/mol, XLogP of 17.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 91310997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).