9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole

C73H46N2 — CID 59236373

About 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole

9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole (PubChem CID 59236373) has the molecular formula C73H46N2 and a molecular weight of 951.19 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
• PubChem CID: 59236373
• Molecular Formula: C73H46N2
• Molecular Weight: 951.19 g/mol
• Exact Mass: 950.37
• IUPAC Name: 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
• SMILES: C(=C/c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1)\c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1-2
• InChI: InChI=1S/C73H46N2/c1-3-15-53-45-55(35-33-51(53)13-1)74-69-23-11-7-19-61(69)63-41-47(31-39-71(63)74)25-27-49-29-37-59-60-38-30-50(44-68(60)73(67(59)43-49)65-21-9-5-17-57(65)58-18-6-10-22-66(58)73)28-26-48-32-40-72-64(42-48)62-20-8-12-24-70(62)75(72)56-36-34-52-14-2-4-16-54(52)46-56/h1-46H/b27-25+,28-26+
• InChIKey: LLRGDRQXVOFMOP-NBHCHVEOSA-N
• XLogP: 18.87
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.19
LogP ≤ 5	18.87
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 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole?

The IUPAC name of 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole (CID 59236373) is 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole.

What is the SMILES notation for 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole?

The canonical SMILES for 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole is C(=C/c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1)\c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1-2.

What is the InChIKey of 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole?

The InChIKey is LLRGDRQXVOFMOP-NBHCHVEOSA-N. The full InChI is InChI=1S/C73H46N2/c1-3-15-53-45-55(35-33-51(53)13-1)74-69-23-11-7-19-61(69)63-41-47(31-39-71(63)74)25-27-49-29-37-59-60-38-30-50(44-68(60)73(67(59)43-49)65-21-9-5-17-57(65)58-18-6-10-22-66(58)73)28-26-48-32-40-72-64(42-48)62-20-8-12-24-70(62)75(72)56-36-34-52-14-2-4-16-54(52)46-56/h1-46H/b27-25+,28-26+.

What are the key properties of 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole?

9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole has a molecular weight of 951.19 g/mol, XLogP of 18.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole is sourced from PubChem (CID 59236373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).