9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole

C82H60N2 — CID 59236473

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

9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole (PubChem CID 59236473) has the molecular formula C82H60N2 and a molecular weight of 1073.40 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole
• PubChem CID: 59236473
• Molecular Formula: C82H60N2
• Molecular Weight: 1073.40 g/mol
• Exact Mass: 1072.48
• IUPAC Name: 9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole
• SMILES: C(=C/c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12)\c1ccc2c(c1)C1(CCCC1)c1cc(-c3ccc4c(c3)C3(CCCC3)c3cc(/C=C/c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)ccc1-2
• InChI: InChI=1S/C82H60N2/c1-3-19-61-57(15-1)17-13-25-75(61)83-77-23-7-5-21-67(77)69-47-53(33-41-79(69)83)27-29-55-31-37-63-65-39-35-59(51-73(65)81(71(63)49-55)43-9-10-44-81)60-36-40-66-64-38-32-56(50-72(64)82(74(66)52-60)45-11-12-46-82)30-28-54-34-42-80-70(48-54)68-22-6-8-24-78(68)84(80)76-26-14-18-58-16-2-4-20-62(58)76/h1-8,13-42,47-52H,9-12,43-46H2/b29-27+,30-28+
• InChIKey: LCIQXZXZNGHZTG-QAVVBOBSSA-N
• XLogP: 21.88
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.40
LogP ≤ 5	21.88
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-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole?

The IUPAC name of 9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole (CID 59236473) is 9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole.

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

The canonical SMILES for 9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole is C(=C/c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12)\c1ccc2c(c1)C1(CCCC1)c1cc(-c3ccc4c(c3)C3(CCCC3)c3cc(/C=C/c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)ccc1-2.

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

The InChIKey is LCIQXZXZNGHZTG-QAVVBOBSSA-N. The full InChI is InChI=1S/C82H60N2/c1-3-19-61-57(15-1)17-13-25-75(61)83-77-23-7-5-21-67(77)69-47-53(33-41-79(69)83)27-29-55-31-37-63-65-39-35-59(51-73(65)81(71(63)49-55)43-9-10-44-81)60-36-40-66-64-38-32-56(50-72(64)82(74(66)52-60)45-11-12-46-82)30-28-54-34-42-80-70(48-54)68-22-6-8-24-78(68)84(80)76-26-14-18-58-16-2-4-20-62(58)76/h1-8,13-42,47-52H,9-12,43-46H2/b29-27+,30-28+.

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

9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole has a molecular weight of 1073.40 g/mol, XLogP of 21.88, 7 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-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole is sourced from PubChem (CID 59236473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).