N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline

C64H54N2 — CID 88986855

About N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline

N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline (PubChem CID 88986855) has the molecular formula C64H54N2 and a molecular weight of 851.15 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline
• PubChem CID: 88986855
• Molecular Formula: C64H54N2
• Molecular Weight: 851.15 g/mol
• Exact Mass: 850.43
• IUPAC Name: N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline
• SMILES: CC1(C)C2=CC3c4ccc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4C(C)(C)C3C=C2c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
• InChI: InChI=1S/C64H54N2/c1-63(2)59-41-47(27-25-45-29-35-53(36-30-45)65(49-17-9-5-10-18-49)50-19-11-6-12-20-50)33-39-55(59)57-44-62-58(43-61(57)63)56-40-34-48(42-60(56)64(62,3)4)28-26-46-31-37-54(38-32-46)66(51-21-13-7-14-22-51)52-23-15-8-16-24-52/h5-44,57,61H,1-4H3/b27-25+,28-26+
• InChIKey: RLMWLGKMMTWZCF-NBHCHVEOSA-N
• XLogP: 17.27
• 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	851.15
LogP ≤ 5	17.27
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 N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline?

The IUPAC name of N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline (CID 88986855) is N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline?

The canonical SMILES for N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline is CC1(C)C2=CC3c4ccc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4C(C)(C)C3C=C2c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.

What is the InChIKey of N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline?

The InChIKey is RLMWLGKMMTWZCF-NBHCHVEOSA-N. The full InChI is InChI=1S/C64H54N2/c1-63(2)59-41-47(27-25-45-29-35-53(36-30-45)65(49-17-9-5-10-18-49)50-19-11-6-12-20-50)33-39-55(59)57-44-62-58(43-61(57)63)56-40-34-48(42-60(56)64(62,3)4)28-26-46-31-37-54(38-32-46)66(51-21-13-7-14-22-51)52-23-15-8-16-24-52/h5-44,57,61H,1-4H3/b27-25+,28-26+.

What are the key properties of N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline?

N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline has a molecular weight of 851.15 g/mol, XLogP of 17.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline is sourced from PubChem (CID 88986855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).