20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene

C57H36O — CID 144703545

About 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene

20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene (PubChem CID 144703545) has the molecular formula C57H36O and a molecular weight of 736.91 g/mol. Its IUPAC name is 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene.

Molecular Properties

• Compound Name: 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene
• PubChem CID: 144703545
• Molecular Formula: C57H36O
• Molecular Weight: 736.91 g/mol
• Exact Mass: 736.28
• IUPAC Name: 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene
• SMILES: c1cc(-c2ccc3oc4c(c3c2)-c2ccccc2-c2ccccc2C4)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc23)c1
• InChI: InChI=1S/C57H36O/c1-3-21-43-36(14-1)16-13-29-44(43)39-18-12-20-42(33-39)56-50-27-9-7-25-48(50)55(49-26-8-10-28-51(49)56)41-19-11-17-37(32-41)38-30-31-53-52(34-38)57-47-24-6-5-23-46(47)45-22-4-2-15-40(45)35-54(57)58-53/h1-34H,35H2
• InChIKey: UPXHCFJOXYXNQK-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.91
LogP ≤ 5	15.80
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 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene?

The IUPAC name of 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene (CID 144703545) is 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene.

What is the SMILES notation for 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene?

The canonical SMILES for 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene is c1cc(-c2ccc3oc4c(c3c2)-c2ccccc2-c2ccccc2C4)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc23)c1.

What is the InChIKey of 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene?

The InChIKey is UPXHCFJOXYXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36O/c1-3-21-43-36(14-1)16-13-29-44(43)39-18-12-20-42(33-39)56-50-27-9-7-25-48(50)55(49-26-8-10-28-51(49)56)41-19-11-17-37(32-41)38-30-31-53-52(34-38)57-47-24-6-5-23-46(47)45-22-4-2-15-40(45)35-54(57)58-53/h1-34H,35H2.

What are the key properties of 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene?

20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene has a molecular weight of 736.91 g/mol, XLogP of 15.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene is sourced from PubChem (CID 144703545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).