7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C64H50N2 — CID 89408857

About 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 89408857) has the molecular formula C64H50N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• PubChem CID: 89408857
• Molecular Formula: C64H50N2
• Molecular Weight: 849.13 g/mol
• Exact Mass: 848.41
• IUPAC Name: 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• SMILES: [2H]/C(=C(/[2H])c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)c(-c1ccccc1)c(-c1ccccc1)n3-c1ccccc1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
• InChI: InChI=1S/C64H50N2/c1-63(2)56-38-43(32-35-51(56)52-37-34-50(40-58(52)63)65(47-24-14-7-15-25-47)48-26-16-8-17-27-48)30-31-44-33-36-53-54-41-55-60(42-59(54)64(3,4)57(53)39-44)66(49-28-18-9-19-29-49)62(46-22-12-6-13-23-46)61(55)45-20-10-5-11-21-45/h5-42H,1-4H3/b31-30+/i30D,31D
• InChIKey: YPZLGQVRHQTBRS-MNPTUUBLSA-N
• XLogP: 17.22
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.13
LogP ≤ 5	17.22
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-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The IUPAC name of 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 89408857) is 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is [2H]/C(=C(/[2H])c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)c(-c1ccccc1)c(-c1ccccc1)n3-c1ccccc1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.

What is the InChIKey of 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The InChIKey is YPZLGQVRHQTBRS-MNPTUUBLSA-N. The full InChI is InChI=1S/C64H50N2/c1-63(2)56-38-43(32-35-51(56)52-37-34-50(40-58(52)63)65(47-24-14-7-15-25-47)48-26-16-8-17-27-48)30-31-44-33-36-53-54-41-55-60(42-59(54)64(3,4)57(53)39-44)66(49-28-18-9-19-29-49)62(46-22-12-6-13-23-46)61(55)45-20-10-5-11-21-45/h5-42H,1-4H3/b31-30+/i30D,31D.

What are the key properties of 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 849.13 g/mol, XLogP of 17.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89408857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).