9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole

C87H58N2 — CID 59236105

About 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole

9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole (PubChem CID 59236105) has the molecular formula C87H58N2 and a molecular weight of 1131.43 g/mol. Its IUPAC name is 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
• PubChem CID: 59236105
• Molecular Formula: C87H58N2
• Molecular Weight: 1131.43 g/mol
• Exact Mass: 1130.46
• IUPAC Name: 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
• SMILES: Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(/C=C/c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(/C=C/c8ccc9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc(C)cc%10)ccc9c8)ccc6-7)ccc5c4)ccc32)cc1
• InChI: InChI=1S/C87H58N2/c1-55-19-39-69(40-20-55)88-83-17-9-5-13-75(83)77-53-67(37-45-85(77)88)65-35-33-61-47-57(27-31-63(61)51-65)23-25-59-29-43-73-74-44-30-60(50-82(74)87(81(73)49-59)79-15-7-3-11-71(79)72-12-4-8-16-80(72)87)26-24-58-28-32-64-52-66(36-34-62(64)48-58)68-38-46-86-78(54-68)76-14-6-10-18-84(76)89(86)70-41-21-56(2)22-42-70/h3-54H,1-2H3/b25-23+,26-24+
• InChIKey: PBWJNXGIRFGBOZ-OGGGYYITSA-N
• XLogP: 22.82
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.43
LogP ≤ 5	22.82
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-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole?

The IUPAC name of 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole (CID 59236105) is 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole.

What is the SMILES notation for 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole?

The canonical SMILES for 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(/C=C/c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(/C=C/c8ccc9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc(C)cc%10)ccc9c8)ccc6-7)ccc5c4)ccc32)cc1.

What is the InChIKey of 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole?

The InChIKey is PBWJNXGIRFGBOZ-OGGGYYITSA-N. The full InChI is InChI=1S/C87H58N2/c1-55-19-39-69(40-20-55)88-83-17-9-5-13-75(83)77-53-67(37-45-85(77)88)65-35-33-61-47-57(27-31-63(61)51-65)23-25-59-29-43-73-74-44-30-60(50-82(74)87(81(73)49-59)79-15-7-3-11-71(79)72-12-4-8-16-80(72)87)26-24-58-28-32-64-52-66(36-34-62(64)48-58)68-38-46-86-78(54-68)76-14-6-10-18-84(76)89(86)70-41-21-56(2)22-42-70/h3-54H,1-2H3/b25-23+,26-24+.

What are the key properties of 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole?

9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole has a molecular weight of 1131.43 g/mol, XLogP of 22.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole is sourced from PubChem (CID 59236105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).