10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C229H146NO10P5 — CID 159395453

About 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 159395453) has the molecular formula C229H146NO10P5 and a molecular weight of 3226.55 g/mol. Its IUPAC name is 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 159395453
• Molecular Formula: C229H146NO10P5
• Molecular Weight: 3226.55 g/mol
• Exact Mass: 3223.96
• IUPAC Name: 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)ccc2c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc23)c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)n1
• InChI: InChI=1S/2C52H33O2P.C46H29O2P.C42H27O2P.C37H24NO2P/c53-55(36-18-3-1-4-19-36,37-20-5-2-6-21-37)38-22-15-17-35(32-38)49-42-26-11-13-28-44(42)50(45-29-14-12-27-43(45)49)46-33-48-52(41-25-10-9-24-40(41)46)51-39-23-8-7-16-34(39)30-31-47(51)54-48;53-55(36-16-3-1-4-17-36,37-18-5-2-6-19-37)38-30-27-35(28-31-38)49-42-23-11-13-25-44(42)50(45-26-14-12-24-43(45)49)46-33-48-52(41-22-10-9-21-40(41)46)51-39-20-8-7-15-34(39)29-32-47(51)54-48;47-49(32-17-3-1-4-18-32,33-19-5-2-6-20-33)46-38-25-13-11-23-36(38)42(37-24-12-14-26-39(37)46)40-29-31-16-8-10-22-35(31)44-43-34-21-9-7-15-30(34)27-28-41(43)48-45(40)44;43-45(32-12-3-1-4-13-32,33-14-5-2-6-15-33)34-23-21-29-25-31(20-19-30(29)26-34)38-27-40-42(37-18-10-9-17-36(37)38)41-35-16-8-7-11-28(35)22-24-39(41)44-40;39-41(27-14-3-1-4-15-27,28-16-5-2-6-17-28)34-21-11-20-32(38-34)31-24-26-13-8-10-19-30(26)36-35-29-18-9-7-12-25(29)22-23-33(35)40-37(31)36/h2*1-33H;1-29H;1-27H;1-24H
• InChIKey: LMQQHVZGSSZZFH-UHFFFAOYSA-N
• XLogP: 56.80
• TPSA: 163.94 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3226.55
LogP ≤ 5	56.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 159395453) is 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)ccc2c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc23)c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)n1.

What is the InChIKey of 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is LMQQHVZGSSZZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33O2P.C46H29O2P.C42H27O2P.C37H24NO2P/c53-55(36-18-3-1-4-19-36,37-20-5-2-6-21-37)38-22-15-17-35(32-38)49-42-26-11-13-28-44(42)50(45-29-14-12-27-43(45)49)46-33-48-52(41-25-10-9-24-40(41)46)51-39-23-8-7-16-34(39)30-31-47(51)54-48;53-55(36-16-3-1-4-17-36,37-18-5-2-6-19-37)38-30-27-35(28-31-38)49-42-23-11-13-25-44(42)50(45-26-14-12-24-43(45)49)46-33-48-52(41-22-10-9-21-40(41)46)51-39-20-8-7-15-34(39)29-32-47(51)54-48;47-49(32-17-3-1-4-18-32,33-19-5-2-6-20-33)46-38-25-13-11-23-36(38)42(37-24-12-14-26-39(37)46)40-29-31-16-8-10-22-35(31)44-43-34-21-9-7-15-30(34)27-28-41(43)48-45(40)44;43-45(32-12-3-1-4-13-32,33-14-5-2-6-15-33)34-23-21-29-25-31(20-19-30(29)26-34)38-27-40-42(37-18-10-9-17-36(37)38)41-35-16-8-7-11-28(35)22-24-39(41)44-40;39-41(27-14-3-1-4-15-27,28-16-5-2-6-17-28)34-21-11-20-32(38-34)31-24-26-13-8-10-19-30(26)36-35-29-18-9-7-12-25(29)22-23-33(35)40-37(31)36/h2*1-33H;1-29H;1-27H;1-24H.

What are the key properties of 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 3226.55 g/mol, XLogP of 56.80, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(10-diphenylphosphorylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-(6-diphenylphosphorylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-diphenylphosphoryl-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine;9-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 159395453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).