16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene

C56H34O — CID 130188793

About 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene

16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene (PubChem CID 130188793) has the molecular formula C56H34O and a molecular weight of 722.89 g/mol. Its IUPAC name is 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene.

Molecular Properties

• Compound Name: 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
• PubChem CID: 130188793
• Molecular Formula: C56H34O
• Molecular Weight: 722.89 g/mol
• Exact Mass: 722.26
• IUPAC Name: 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
• SMILES: c1cc(-c2ccc3ccc4c(oc5ccc6ccccc6c54)c3c2)cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)c1
• InChI: InChI=1S/C56H34O/c1-2-12-40-32-42(26-22-35(40)10-1)36-20-24-39(25-21-36)53-46-16-5-7-18-48(46)54(49-19-8-6-17-47(49)53)44-14-9-13-41(33-44)43-27-23-38-28-30-50-55-45-15-4-3-11-37(45)29-31-52(55)57-56(50)51(38)34-43/h1-34H
• InChIKey: OVUDMXSBRWPKPZ-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.89
LogP ≤ 5	16.02
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 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene?

The IUPAC name of 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene (CID 130188793) is 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene.

What is the SMILES notation for 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene?

The canonical SMILES for 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene is c1cc(-c2ccc3ccc4c(oc5ccc6ccccc6c54)c3c2)cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)c1.

What is the InChIKey of 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene?

The InChIKey is OVUDMXSBRWPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O/c1-2-12-40-32-42(26-22-35(40)10-1)36-20-24-39(25-21-36)53-46-16-5-7-18-48(46)54(49-19-8-6-17-47(49)53)44-14-9-13-41(33-44)43-27-23-38-28-30-50-55-45-15-4-3-11-37(45)29-31-52(55)57-56(50)51(38)34-43/h1-34H.

What are the key properties of 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene?

16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene has a molecular weight of 722.89 g/mol, XLogP of 16.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene is sourced from PubChem (CID 130188793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).