9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole

C85H54N2 — CID 59236693

About 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole

9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole (PubChem CID 59236693) has the molecular formula C85H54N2 and a molecular weight of 1103.38 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
• PubChem CID: 59236693
• Molecular Formula: C85H54N2
• Molecular Weight: 1103.38 g/mol
• Exact Mass: 1102.43
• IUPAC Name: 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
• SMILES: C(=C/c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12)\c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4)ccc2-3)cc1
• InChI: InChI=1S/C85H54N2/c1-3-19-65-61(15-1)17-13-29-79(65)86-81-27-11-7-23-71(81)73-51-57(39-49-83(73)86)33-31-55-35-41-59(42-36-55)63-45-47-69-70-48-46-64(54-78(70)85(77(69)53-63)75-25-9-5-21-67(75)68-22-6-10-26-76(68)85)60-43-37-56(38-44-60)32-34-58-40-50-84-74(52-58)72-24-8-12-28-82(72)87(84)80-30-14-18-62-16-2-4-20-66(62)80/h1-54H/b33-31+,34-32+
• InChIKey: JKOIFINORKBJKA-FMWAKIAMSA-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-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole?

The IUPAC name of 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole (CID 59236693) is 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole.

What is the SMILES notation for 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole?

The canonical SMILES for 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole is C(=C/c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12)\c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4)ccc2-3)cc1.

What is the InChIKey of 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole?

The InChIKey is JKOIFINORKBJKA-FMWAKIAMSA-N. The full InChI is InChI=1S/C85H54N2/c1-3-19-65-61(15-1)17-13-29-79(65)86-81-27-11-7-23-71(81)73-51-57(39-49-83(73)86)33-31-55-35-41-59(42-36-55)63-45-47-69-70-48-46-64(54-78(70)85(77(69)53-63)75-25-9-5-21-67(75)68-22-6-10-26-76(68)85)60-43-37-56(38-44-60)32-34-58-40-50-84-74(52-58)72-24-8-12-28-82(72)87(84)80-30-14-18-62-16-2-4-20-66(62)80/h1-54H/b33-31+,34-32+.

What are the key properties of 9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole?

9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-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-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole is sourced from PubChem (CID 59236693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).