7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine

C62H51N — CID 89066792

About 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine (PubChem CID 89066792) has the molecular formula C62H51N and a molecular weight of 810.10 g/mol. Its IUPAC name is 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine
• PubChem CID: 89066792
• Molecular Formula: C62H51N
• Molecular Weight: 810.10 g/mol
• Exact Mass: 809.40
• IUPAC Name: 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine
• SMILES: CCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c5c3CCC=C5CC4)cc21
• InChI: InChI=1S/C62H51N/c1-3-61(4-2)56-40-42(30-32-44-19-17-29-55-60(44)52-26-14-15-28-54(52)62(55,46-20-8-5-9-21-46)47-22-10-6-11-23-47)31-37-50(56)51-38-36-49(41-57(51)61)63(48-24-12-7-13-25-48)58-39-35-45-34-33-43-18-16-27-53(58)59(43)45/h5-15,17-26,28-32,35-41H,3-4,16,27,33-34H2,1-2H3/b32-30+
• InChIKey: FZLDXXDFSNUYFB-NHQGMKOOSA-N
• XLogP: 16.05
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.10
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine?

The IUPAC name of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine (CID 89066792) is 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine?

The canonical SMILES for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c5c3CCC=C5CC4)cc21.

What is the InChIKey of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine?

The InChIKey is FZLDXXDFSNUYFB-NHQGMKOOSA-N. The full InChI is InChI=1S/C62H51N/c1-3-61(4-2)56-40-42(30-32-44-19-17-29-55-60(44)52-26-14-15-28-54(52)62(55,46-20-8-5-9-21-46)47-22-10-6-11-23-47)31-37-50(56)51-38-36-49(41-57(51)61)63(48-24-12-7-13-25-48)58-39-35-45-34-33-43-18-16-27-53(58)59(43)45/h5-15,17-26,28-32,35-41H,3-4,16,27,33-34H2,1-2H3/b32-30+.

What are the key properties of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine?

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine has a molecular weight of 810.10 g/mol, XLogP of 16.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine is sourced from PubChem (CID 89066792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).