1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene

C120H80 — CID 157334400

About 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene

1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene (PubChem CID 157334400) has the molecular formula C120H80 and a molecular weight of 1521.96 g/mol. Its IUPAC name is 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene.

Molecular Properties

• Compound Name: 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene
• PubChem CID: 157334400
• Molecular Formula: C120H80
• Molecular Weight: 1521.96 g/mol
• Exact Mass: 1520.63
• IUPAC Name: 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene
• SMILES: C(=C/c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(/C=C/c6ccccc6)ccc5c4)c4c(-c5ccc6ccccc6c5)cccc34)ccc2c1)\c1ccccc1.C(=C/c1cccc2c(-c3c4ccccc4c(-c4cccc5c(/C=C/c6ccccc6)cccc45)c4c(-c5ccc6ccccc6c5)cccc34)cccc12)\c1ccccc1
• InChI: InChI=1S/2C60H40/c1-3-16-41(17-4-1)34-36-44-22-11-29-51-48(44)26-13-31-53(51)58-55-24-9-10-25-56(55)60(59-50(28-15-33-57(58)59)47-39-38-43-20-7-8-21-46(43)40-47)54-32-14-27-49-45(23-12-30-52(49)54)37-35-42-18-5-2-6-19-42;1-3-12-41(13-4-1)22-24-43-26-28-49-39-52(34-31-47(49)36-43)58-55-18-9-10-19-56(55)59(60-54(20-11-21-57(58)60)51-33-30-45-16-7-8-17-46(45)38-51)53-35-32-48-37-44(27-29-50(48)40-53)25-23-42-14-5-2-6-15-42/h2*1-40H/b36-34+,37-35+;24-22+,25-23+
• InChIKey: BFQYWCAABLVHHE-WXIRVBLSSA-N
• XLogP: 33.59
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1521.96
LogP ≤ 5	33.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene?

The IUPAC name of 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene (CID 157334400) is 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene.

What is the SMILES notation for 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene?

The canonical SMILES for 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene is C(=C/c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(/C=C/c6ccccc6)ccc5c4)c4c(-c5ccc6ccccc6c5)cccc34)ccc2c1)\c1ccccc1.C(=C/c1cccc2c(-c3c4ccccc4c(-c4cccc5c(/C=C/c6ccccc6)cccc45)c4c(-c5ccc6ccccc6c5)cccc34)cccc12)\c1ccccc1.

What is the InChIKey of 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene?

The InChIKey is BFQYWCAABLVHHE-WXIRVBLSSA-N. The full InChI is InChI=1S/2C60H40/c1-3-16-41(17-4-1)34-36-44-22-11-29-51-48(44)26-13-31-53(51)58-55-24-9-10-25-56(55)60(59-50(28-15-33-57(58)59)47-39-38-43-20-7-8-21-46(43)40-47)54-32-14-27-49-45(23-12-30-52(49)54)37-35-42-18-5-2-6-19-42;1-3-12-41(13-4-1)22-24-43-26-28-49-39-52(34-31-47(49)36-43)58-55-18-9-10-19-56(55)59(60-54(20-11-21-57(58)60)51-33-30-45-16-7-8-17-46(45)38-51)53-35-32-48-37-44(27-29-50(48)40-53)25-23-42-14-5-2-6-15-42/h2*1-40H/b36-34+,37-35+;24-22+,25-23+.

What are the key properties of 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene?

1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene has a molecular weight of 1521.96 g/mol, XLogP of 33.59, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene is sourced from PubChem (CID 157334400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).