7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine

C76H58N2 — CID 59246065

About 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine

7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine (PubChem CID 59246065) has the molecular formula C76H58N2 and a molecular weight of 999.31 g/mol. Its IUPAC name is 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
• PubChem CID: 59246065
• Molecular Formula: C76H58N2
• Molecular Weight: 999.31 g/mol
• Exact Mass: 998.46
• IUPAC Name: 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
• SMILES: CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6cccc7ccccc67)ccc4-5)c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C76H58N2/c1-75(2)69-47-51(35-43-65(69)67-45-41-59(49-71(67)75)77(57-23-7-5-8-24-57)73-31-17-21-53-19-11-13-29-63(53)73)33-37-55-39-40-56(62-28-16-15-27-61(55)62)38-34-52-36-44-66-68-46-42-60(50-72(68)76(3,4)70(66)48-52)78(58-25-9-6-10-26-58)74-32-18-22-54-20-12-14-30-64(54)74/h5-50H,1-4H3/b37-33+,38-34+
• InChIKey: LOXWPYUDWOIUOR-YEQLPCBTSA-N
• XLogP: 21.04
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.31
LogP ≤ 5	21.04
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)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine?

The IUPAC name of 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine (CID 59246065) is 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine?

The canonical SMILES for 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine is CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6cccc7ccccc67)ccc4-5)c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.

What is the InChIKey of 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine?

The InChIKey is LOXWPYUDWOIUOR-YEQLPCBTSA-N. The full InChI is InChI=1S/C76H58N2/c1-75(2)69-47-51(35-43-65(69)67-45-41-59(49-71(67)75)77(57-23-7-5-8-24-57)73-31-17-21-53-19-11-13-29-63(53)73)33-37-55-39-40-56(62-28-16-15-27-61(55)62)38-34-52-36-44-66-68-46-42-60(50-72(68)76(3,4)70(66)48-52)78(58-25-9-6-10-26-58)74-32-18-22-54-20-12-14-30-64(54)74/h5-50H,1-4H3/b37-33+,38-34+.

What are the key properties of 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine?

7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine has a molecular weight of 999.31 g/mol, XLogP of 21.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine is sourced from PubChem (CID 59246065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).