9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole

C85H54N2 — CID 59236656

About 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole

9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole (PubChem CID 59236656) has the molecular formula C85H54N2 and a molecular weight of 1103.38 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
• PubChem CID: 59236656
• Molecular Formula: C85H54N2
• Molecular Weight: 1103.38 g/mol
• Exact Mass: 1102.43
• IUPAC Name: 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
• SMILES: C(=C/c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1)\c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4)ccc2-3)cc1
• InChI: InChI=1S/C85H54N2/c1-3-15-63-51-67(43-39-59(63)13-1)86-81-23-11-7-19-73(81)75-49-57(33-47-83(75)86)27-25-55-29-35-61(36-30-55)65-41-45-71-72-46-42-66(54-80(72)85(79(71)53-65)77-21-9-5-17-69(77)70-18-6-10-22-78(70)85)62-37-31-56(32-38-62)26-28-58-34-48-84-76(50-58)74-20-8-12-24-82(74)87(84)68-44-40-60-14-2-4-16-64(60)52-68/h1-54H/b27-25+,28-26+
• InChIKey: UDIOUFKDFNHODI-NBHCHVEOSA-N
• XLogP: 22.21
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.38
LogP ≤ 5	22.21
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-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole?

The IUPAC name of 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole (CID 59236656) is 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole.

What is the SMILES notation for 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole?

The canonical SMILES for 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole is C(=C/c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1)\c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4)ccc2-3)cc1.

What is the InChIKey of 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole?

The InChIKey is UDIOUFKDFNHODI-NBHCHVEOSA-N. The full InChI is InChI=1S/C85H54N2/c1-3-15-63-51-67(43-39-59(63)13-1)86-81-23-11-7-19-73(81)75-49-57(33-47-83(75)86)27-25-55-29-35-61(36-30-55)65-41-45-71-72-46-42-66(54-80(72)85(79(71)53-65)77-21-9-5-17-69(77)70-18-6-10-22-78(70)85)62-37-31-56(32-38-62)26-28-58-34-48-84-76(50-58)74-20-8-12-24-82(74)87(84)68-44-40-60-14-2-4-16-64(60)52-68/h1-54H/b27-25+,28-26+.

What are the key properties of 9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole?

9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole has a molecular weight of 1103.38 g/mol, XLogP of 22.21, 8 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-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole is sourced from PubChem (CID 59236656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).