2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

C177H124N4O5P4SSi — CID 157178823

About 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (PubChem CID 157178823) has the molecular formula C177H124N4O5P4SSi and a molecular weight of 2571.01 g/mol. Its IUPAC name is 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

Molecular Properties

• Compound Name: 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
• PubChem CID: 157178823
• Molecular Formula: C177H124N4O5P4SSi
• Molecular Weight: 2571.01 g/mol
• Exact Mass: 2568.80
• IUPAC Name: 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-n2c3ccccc3c3cccc1c32.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2-n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/C46H34NOP.C45H34NOPSi.C43H28NO2P.C43H28NOPS/c1-45(2)36-22-10-11-23-38(36)46(39-24-12-14-27-43(39)47-42-26-13-9-20-34(42)35-21-15-25-40(46)44(35)47)41-30-33(28-29-37(41)45)49(48,31-16-5-3-6-17-31)32-18-7-4-8-19-32;1-49(2)42-27-14-11-23-37(42)45(36-22-10-13-26-41(36)46-40-25-12-9-20-34(40)35-21-15-24-38(45)44(35)46)39-30-33(28-29-43(39)49)48(47,31-16-5-3-6-17-31)32-18-7-4-8-19-32;45-47(29-14-3-1-4-15-29,30-16-5-2-6-17-30)31-26-27-41-37(28-31)43(35-21-9-12-25-40(35)46-41)34-20-8-11-24-39(34)44-38-23-10-7-18-32(38)33-19-13-22-36(43)42(33)44;45-46(29-14-3-1-4-15-29,30-16-5-2-6-17-30)31-26-27-41-37(28-31)43(35-21-9-12-25-40(35)47-41)34-20-8-11-24-39(34)44-38-23-10-7-18-32(38)33-19-13-22-36(43)42(33)44/h2*3-30H,1-2H3;2*1-28H
• InChIKey: AOIKGAUMVXFHMP-UHFFFAOYSA-N
• XLogP: 36.82
• TPSA: 97.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2571.01
LogP ≤ 5	36.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The IUPAC name of 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (CID 157178823) is 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

What is the SMILES notation for 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The canonical SMILES for 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-n2c3ccccc3c3cccc1c32.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2-n2c3ccccc3c3cccc1c32.

What is the InChIKey of 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The InChIKey is AOIKGAUMVXFHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34NOP.C45H34NOPSi.C43H28NO2P.C43H28NOPS/c1-45(2)36-22-10-11-23-38(36)46(39-24-12-14-27-43(39)47-42-26-13-9-20-34(42)35-21-15-25-40(46)44(35)47)41-30-33(28-29-37(41)45)49(48,31-16-5-3-6-17-31)32-18-7-4-8-19-32;1-49(2)42-27-14-11-23-37(42)45(36-22-10-13-26-41(36)46-40-25-12-9-20-34(40)35-21-15-24-38(45)44(35)46)39-30-33(28-29-43(39)49)48(47,31-16-5-3-6-17-31)32-18-7-4-8-19-32;45-47(29-14-3-1-4-15-29,30-16-5-2-6-17-30)31-26-27-41-37(28-31)43(35-21-9-12-25-40(35)46-41)34-20-8-11-24-39(34)44-38-23-10-7-18-32(38)33-19-13-22-36(43)42(33)44;45-46(29-14-3-1-4-15-29,30-16-5-2-6-17-30)31-26-27-41-37(28-31)43(35-21-9-12-25-40(35)47-41)34-20-8-11-24-39(34)44-38-23-10-7-18-32(38)33-19-13-22-36(43)42(33)44/h2*3-30H,1-2H3;2*1-28H.

What are the key properties of 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] has a molecular weight of 2571.01 g/mol, XLogP of 36.82, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-diphenylphosphoryl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene];2'-diphenylphosphoryl-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-diphenylphosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is sourced from PubChem (CID 157178823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).