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

C97H64N2 — CID 59236126

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

9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole (PubChem CID 59236126) has the molecular formula C97H64N2 and a molecular weight of 1257.59 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole
• PubChem CID: 59236126
• Molecular Formula: C97H64N2
• Molecular Weight: 1257.59 g/mol
• Exact Mass: 1256.51
• IUPAC Name: 9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole
• SMILES: C(=C/c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1)\c1ccc(-c2ccc3c(c2)C2(CCc4cc5ccccc5cc42)c2cc(-c4ccc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc5)cc4)ccc2-3)cc1
• InChI: InChI=1S/C97H64N2/c1-3-14-74-56-82(47-41-67(74)11-1)98-93-19-9-7-17-86(93)88-58-77(45-51-95(88)98)69-33-25-63(26-34-69)21-23-65-29-37-71(38-30-65)79-43-49-84-85-50-44-80(62-92(85)97(91(84)61-79)54-53-81-55-73-13-5-6-16-76(73)60-90(81)97)72-39-31-66(32-40-72)24-22-64-27-35-70(36-28-64)78-46-52-96-89(59-78)87-18-8-10-20-94(87)99(96)83-48-42-68-12-2-4-15-75(68)57-83/h1-52,55-62H,53-54H2/b23-21+,24-22+
• InChIKey: RXVGXAWPCHTGHW-MBALSZOMSA-N
• XLogP: 25.61
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1257.59
LogP ≤ 5	25.61
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-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole?

The IUPAC name of 9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole (CID 59236126) is 9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole.

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

The canonical SMILES for 9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole is C(=C/c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1)\c1ccc(-c2ccc3c(c2)C2(CCc4cc5ccccc5cc42)c2cc(-c4ccc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc5)cc4)ccc2-3)cc1.

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

The InChIKey is RXVGXAWPCHTGHW-MBALSZOMSA-N. The full InChI is InChI=1S/C97H64N2/c1-3-14-74-56-82(47-41-67(74)11-1)98-93-19-9-7-17-86(93)88-58-77(45-51-95(88)98)69-33-25-63(26-34-69)21-23-65-29-37-71(38-30-65)79-43-49-84-85-50-44-80(62-92(85)97(91(84)61-79)54-53-81-55-73-13-5-6-16-76(73)60-90(81)97)72-39-31-66(32-40-72)24-22-64-27-35-70(36-28-64)78-46-52-96-89(59-78)87-18-8-10-20-94(87)99(96)83-48-42-68-12-2-4-15-75(68)57-83/h1-52,55-62H,53-54H2/b23-21+,24-22+.

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

9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole has a molecular weight of 1257.59 g/mol, XLogP of 25.61, 10 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-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole is sourced from PubChem (CID 59236126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).