15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene

C45H30O — CID 130211730

About 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene

15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene (PubChem CID 130211730) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

• Compound Name: 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
• PubChem CID: 130211730
• Molecular Formula: C45H30O
• Molecular Weight: 586.73 g/mol
• Exact Mass: 586.23
• IUPAC Name: 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
• SMILES: CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2-c2ccc3c(ccc4c5ccccc5oc34)c21
• InChI: InChI=1S/C45H30O/c1-45(2)39-25-20-28(42-32-17-8-6-15-30(32)41(27-12-4-3-5-13-27)31-16-7-9-18-33(31)42)26-38(39)35-22-24-37-34(43(35)45)21-23-36-29-14-10-11-19-40(29)46-44(36)37/h3-26H,1-2H3
• InChIKey: PEYAXFRWHXBECQ-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.73
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene?

The IUPAC name of 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene (CID 130211730) is 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene.

What is the SMILES notation for 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene?

The canonical SMILES for 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2-c2ccc3c(ccc4c5ccccc5oc34)c21.

What is the InChIKey of 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene?

The InChIKey is PEYAXFRWHXBECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-45(2)39-25-20-28(42-32-17-8-6-15-30(32)41(27-12-4-3-5-13-27)31-16-7-9-18-33(31)42)26-38(39)35-22-24-37-34(43(35)45)21-23-36-29-14-10-11-19-40(29)46-44(36)37/h3-26H,1-2H3.

What are the key properties of 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene?

15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 586.73 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 130211730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).