6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene

C52H32O2 — CID 130212404

About 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene

6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene (PubChem CID 130212404) has the molecular formula C52H32O2 and a molecular weight of 688.83 g/mol. Its IUPAC name is 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene.

Molecular Properties

• Compound Name: 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
• PubChem CID: 130212404
• Molecular Formula: C52H32O2
• Molecular Weight: 688.83 g/mol
• Exact Mass: 688.24
• IUPAC Name: 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
• SMILES: C=Cc1c(-c2ccccc2)ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc5ccc6oc7ccccc7c6c5c34)c3ccccc23)c1C=C
• InChI: InChI=1S/C52H32O2/c1-3-34-35(4-2)41(27-26-36(34)31-14-6-5-7-15-31)50-39-18-10-8-16-37(39)48(38-17-9-11-19-40(38)50)33-22-25-43-47(30-33)54-46-29-24-32-23-28-45-51(49(32)52(43)46)42-20-12-13-21-44(42)53-45/h3-30H,1-2H2
• InChIKey: HIKIILPNYYJKOT-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.83
LogP ≤ 5	15.23
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 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene?

The IUPAC name of 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene (CID 130212404) is 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene.

What is the SMILES notation for 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene?

The canonical SMILES for 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene is C=Cc1c(-c2ccccc2)ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc5ccc6oc7ccccc7c6c5c34)c3ccccc23)c1C=C.

What is the InChIKey of 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene?

The InChIKey is HIKIILPNYYJKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O2/c1-3-34-35(4-2)41(27-26-36(34)31-14-6-5-7-15-31)50-39-18-10-8-16-37(39)48(38-17-9-11-19-40(38)50)33-22-25-43-47(30-33)54-46-29-24-32-23-28-45-51(49(32)52(43)46)42-20-12-13-21-44(42)53-45/h3-30H,1-2H2.

What are the key properties of 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene?

6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene has a molecular weight of 688.83 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene is sourced from PubChem (CID 130212404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).