9-naphthalen-1-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 59236116

About 9-naphthalen-1-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-1-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 59236116) has the molecular formula C97H64N2 and a molecular weight of 1257.59 g/mol. Its IUPAC name is 9-naphthalen-1-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-1-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: 59236116
• Molecular Formula: C97H64N2
• Molecular Weight: 1257.59 g/mol
• Exact Mass: 1256.51
• IUPAC Name: 9-naphthalen-1-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-c6cccc7ccccc67)cc5)cc4)ccc2-3)cc1
• InChI: InChI=1S/C97H64N2/c1-2-15-74-57-81(49-44-67(74)12-1)98-93-21-9-7-19-85(93)87-58-76(47-52-95(87)98)68-36-28-63(29-37-68)24-26-65-32-40-70(41-33-65)78-45-50-83-84-51-46-79(62-91(84)97(90(83)61-78)55-54-80-56-73-14-3-4-16-75(73)60-89(80)97)71-42-34-66(35-43-71)27-25-64-30-38-69(39-31-64)77-48-53-96-88(59-77)86-20-8-10-22-94(86)99(96)92-23-11-17-72-13-5-6-18-82(72)92/h1-53,56-62H,54-55H2/b26-24+,27-25+
• InChIKey: XGSOOMJTXNXSCQ-OWUYFMIJSA-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-1-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-1-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 59236116) is 9-naphthalen-1-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-1-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-1-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-c6cccc7ccccc67)cc5)cc4)ccc2-3)cc1.

What is the InChIKey of 9-naphthalen-1-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 XGSOOMJTXNXSCQ-OWUYFMIJSA-N. The full InChI is InChI=1S/C97H64N2/c1-2-15-74-57-81(49-44-67(74)12-1)98-93-21-9-7-19-85(93)87-58-76(47-52-95(87)98)68-36-28-63(29-37-68)24-26-65-32-40-70(41-33-65)78-45-50-83-84-51-46-79(62-91(84)97(90(83)61-78)55-54-80-56-73-14-3-4-16-75(73)60-89(80)97)71-42-34-66(35-43-71)27-25-64-30-38-69(39-31-64)77-48-53-96-88(59-77)86-20-8-10-22-94(86)99(96)92-23-11-17-72-13-5-6-18-82(72)92/h1-53,56-62H,54-55H2/b26-24+,27-25+.

What are the key properties of 9-naphthalen-1-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-1-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-1-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 59236116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).