19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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

C55H40O — CID 130211838

About 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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

19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 130211838) has the molecular formula C55H40O and a molecular weight of 716.92 g/mol. Its IUPAC name is 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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: 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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: 130211838
• Molecular Formula: C55H40O
• Molecular Weight: 716.92 g/mol
• Exact Mass: 716.31
• IUPAC Name: 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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: C/C=C\C=C(/C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccc5c(ccc6c7ccccc7oc56)c3C4(C)C)c3ccccc23)c2ccccc12
• InChI: InChI=1S/C55H40O/c1-5-6-15-33(2)35-25-26-43(37-17-8-7-16-36(35)37)52-41-21-11-9-19-39(41)51(40-20-10-12-22-42(40)52)34-24-31-49-48(32-34)45-28-30-47-44(53(45)55(49,3)4)27-29-46-38-18-13-14-23-50(38)56-54(46)47/h5-32H,1-4H3/b6-5-,33-15+
• InChIKey: NZFIDCXZWJCOTC-DDDDMZPCSA-N
• XLogP: 15.82
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.92
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 130211838) is 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 C/C=C\C=C(/C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccc5c(ccc6c7ccccc7oc56)c3C4(C)C)c3ccccc23)c2ccccc12.

What is the InChIKey of 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 NZFIDCXZWJCOTC-DDDDMZPCSA-N. The full InChI is InChI=1S/C55H40O/c1-5-6-15-33(2)35-25-26-43(37-17-8-7-16-36(35)37)52-41-21-11-9-19-39(41)51(40-20-10-12-22-42(40)52)34-24-31-49-48(32-34)45-28-30-47-44(53(45)55(49,3)4)27-29-46-38-18-13-14-23-50(38)56-54(46)47/h5-32H,1-4H3/b6-5-,33-15+.

What are the key properties of 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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?

19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 716.92 g/mol, XLogP of 15.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-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 130211838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).