9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole

C83H52N4 — CID 163771953

About 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole

9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole (PubChem CID 163771953) has the molecular formula C83H52N4 and a molecular weight of 1105.36 g/mol. Its IUPAC name is 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
• PubChem CID: 163771953
• Molecular Formula: C83H52N4
• Molecular Weight: 1105.36 g/mol
• Exact Mass: 1104.42
• IUPAC Name: 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
• SMILES: C(=Cc1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)ccc2c1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(/C=C/c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc4c3)ccc1-2
• InChI: InChI=1S/C83H52N4/c1-5-17-73-65(13-1)66-14-2-6-18-74(66)83(73)75-47-55(25-23-53-27-31-59-49-61(35-33-57(59)45-53)63-37-41-79-71(51-63)69-15-3-7-19-77(69)86(79)81-21-9-11-43-84-81)29-39-67(75)68-40-30-56(48-76(68)83)26-24-54-28-32-60-50-62(36-34-58(60)46-54)64-38-42-80-72(52-64)70-16-4-8-20-78(70)87(80)82-22-10-12-44-85-82/h1-52H/b25-23+,26-24?
• InChIKey: MHESUHSCJPMZMB-QIDVXGNCSA-N
• XLogP: 21.00
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.36
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole?

The IUPAC name of 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole (CID 163771953) is 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole.

What is the SMILES notation for 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole?

The canonical SMILES for 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole is C(=Cc1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)ccc2c1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(/C=C/c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc4c3)ccc1-2.

What is the InChIKey of 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole?

The InChIKey is MHESUHSCJPMZMB-QIDVXGNCSA-N. The full InChI is InChI=1S/C83H52N4/c1-5-17-73-65(13-1)66-14-2-6-18-74(66)83(73)75-47-55(25-23-53-27-31-59-49-61(35-33-57(59)45-53)63-37-41-79-71(51-63)69-15-3-7-19-77(69)86(79)81-21-9-11-43-84-81)29-39-67(75)68-40-30-56(48-76(68)83)26-24-54-28-32-60-50-62(36-34-58(60)46-54)64-38-42-80-72(52-64)70-16-4-8-20-78(70)87(80)82-22-10-12-44-85-82/h1-52H/b25-23+,26-24?.

What are the key properties of 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole?

9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole has a molecular weight of 1105.36 g/mol, XLogP of 21.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole is sourced from PubChem (CID 163771953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).