9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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

C55H36O — CID 130185993

About 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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

9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 130185993) has the molecular formula C55H36O and a molecular weight of 712.89 g/mol. Its IUPAC name is 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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: 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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: 130185993
• Molecular Formula: C55H36O
• Molecular Weight: 712.89 g/mol
• Exact Mass: 712.28
• IUPAC Name: 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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: CC1(C)c2ccccc2-c2c1ccc1c2oc2cc3cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)ccc3cc21
• InChI: InChI=1S/C55H36O/c1-55(2)48-21-10-9-19-46(48)53-49(55)29-28-45-47-31-37-27-26-36(30-38(37)32-50(47)56-54(45)53)33-22-24-35(25-23-33)51-41-15-5-7-17-43(41)52(44-18-8-6-16-42(44)51)40-20-11-13-34-12-3-4-14-39(34)40/h3-32H,1-2H3
• InChIKey: QUGOQYASVGBEOX-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.89
LogP ≤ 5	15.51
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 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 130185993) is 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 CC1(C)c2ccccc2-c2c1ccc1c2oc2cc3cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)ccc3cc21.

What is the InChIKey of 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 QUGOQYASVGBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O/c1-55(2)48-21-10-9-19-46(48)53-49(55)29-28-45-47-31-37-27-26-36(30-38(37)32-50(47)56-54(45)53)33-22-24-35(25-23-33)51-41-15-5-7-17-43(41)52(44-18-8-6-16-42(44)51)40-20-11-13-34-12-3-4-14-39(34)40/h3-32H,1-2H3.

What are the key properties of 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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?

9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 712.89 g/mol, XLogP of 15.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[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 130185993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).