19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C56H32O2 — CID 130185465

About 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 130185465) has the molecular formula C56H32O2 and a molecular weight of 736.87 g/mol. Its IUPAC name is 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• PubChem CID: 130185465
• Molecular Formula: C56H32O2
• Molecular Weight: 736.87 g/mol
• Exact Mass: 736.24
• IUPAC Name: 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)oc5c7ccc6oc7ccccc7c65)c5ccccc45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C56H32O2/c1-2-12-34-29-37(24-21-33(34)11-1)53-42-15-5-7-17-44(42)54(45-18-8-6-16-43(45)53)46-26-25-39(40-13-3-4-14-41(40)46)36-23-22-35-31-49-47-27-28-51-55(48-19-9-10-20-50(48)57-51)56(47)58-52(49)32-38(35)30-36/h1-32H
• InChIKey: CLNYIKVHDDWLJJ-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.87
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The IUPAC name of 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 130185465) is 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The canonical SMILES for 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)oc5c7ccc6oc7ccccc7c65)c5ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The InChIKey is CLNYIKVHDDWLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2/c1-2-12-34-29-37(24-21-33(34)11-1)53-42-15-5-7-17-44(42)54(45-18-8-6-16-43(45)53)46-26-25-39(40-13-3-4-14-41(40)46)36-23-22-35-31-49-47-27-28-51-55(48-19-9-10-20-50(48)57-51)56(47)58-52(49)32-38(35)30-36/h1-32H.

What are the key properties of 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 736.87 g/mol, XLogP of 16.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 130185465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).