2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

C245H159N2O15P5 — CID 160786926

About 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (PubChem CID 160786926) has the molecular formula C245H159N2O15P5 and a molecular weight of 3525.84 g/mol. Its IUPAC name is 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.

Molecular Properties

• Compound Name: 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
• PubChem CID: 160786926
• Molecular Formula: C245H159N2O15P5
• Molecular Weight: 3525.84 g/mol
• Exact Mass: 3523.04
• IUPAC Name: 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
• SMILES: CC1(C)c2cc(-c3cc4c(c5ccccc35)Oc3c(ccc5ccccc35)O4)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2cc3c(c4ccccc24)Oc2c(ccc4ccccc24)O3)c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(-c3cc4c(c5ccccc35)Oc3c(ccc5ccccc35)O4)ccc1n2-c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccc(-c4cc5c(c6ccccc46)Oc4c(ccc6ccccc46)O5)cc3n(-c3ccccc3)c2c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3c(-c3cc4c(c5ccccc35)Oc3c(ccc5ccccc35)O4)c3ccccc23)c1
• InChI: InChI=1S/C52H33O3P.2C50H32NO3P.C47H33O3P.C46H29O3P/c53-56(36-18-3-1-4-19-36,37-20-5-2-6-21-37)38-22-15-17-35(32-38)49-41-25-10-12-27-43(41)50(44-28-13-11-26-42(44)49)46-33-48-52(45-29-14-9-24-40(45)46)55-51-39-23-8-7-16-34(39)30-31-47(51)54-48;52-55(36-17-6-2-7-18-36,37-19-8-3-9-20-37)38-26-28-42-41-27-24-34(30-45(41)51(46(42)31-38)35-15-4-1-5-16-35)44-32-48-50(43-23-13-12-22-40(43)44)54-49-39-21-11-10-14-33(39)25-29-47(49)53-48;52-55(36-17-6-2-7-18-36,37-19-8-3-9-20-37)38-26-28-46-44(31-38)43-30-34(24-27-45(43)51(46)35-15-4-1-5-16-35)42-32-48-50(41-23-13-12-22-40(41)42)54-49-39-21-11-10-14-33(39)25-29-47(49)53-48;1-47(2)41-27-31(40-29-44-46(39-20-12-11-19-36(39)40)50-45-35-18-10-9-13-30(35)22-26-43(45)49-44)21-24-37(41)38-25-23-34(28-42(38)47)51(48,32-14-5-3-6-15-32)33-16-7-4-8-17-33;47-50(31-16-3-1-4-17-31,32-18-5-2-6-19-32)46-38-25-13-10-22-35(38)43(36-23-11-14-26-39(36)46)40-29-42-45(37-24-12-9-21-34(37)40)49-44-33-20-8-7-15-30(33)27-28-41(44)48-42/h1-33H;2*1-32H;3-29H,1-2H3;1-29H
• InChIKey: SBIFKGVRBRBJBJ-UHFFFAOYSA-N
• XLogP: 60.77
• TPSA: 187.51 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3525.84
LogP ≤ 5	60.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?

The IUPAC name of 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (CID 160786926) is 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.

What is the SMILES notation for 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?

The canonical SMILES for 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is CC1(C)c2cc(-c3cc4c(c5ccccc35)Oc3c(ccc5ccccc35)O4)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2cc3c(c4ccccc24)Oc2c(ccc4ccccc24)O3)c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(-c3cc4c(c5ccccc35)Oc3c(ccc5ccccc35)O4)ccc1n2-c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccc(-c4cc5c(c6ccccc46)Oc4c(ccc6ccccc46)O5)cc3n(-c3ccccc3)c2c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2c3ccccc3c(-c3cc4c(c5ccccc35)Oc3c(ccc5ccccc35)O4)c3ccccc23)c1.

What is the InChIKey of 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?

The InChIKey is SBIFKGVRBRBJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33O3P.2C50H32NO3P.C47H33O3P.C46H29O3P/c53-56(36-18-3-1-4-19-36,37-20-5-2-6-21-37)38-22-15-17-35(32-38)49-41-25-10-12-27-43(41)50(44-28-13-11-26-42(44)49)46-33-48-52(45-29-14-9-24-40(45)46)55-51-39-23-8-7-16-34(39)30-31-47(51)54-48;52-55(36-17-6-2-7-18-36,37-19-8-3-9-20-37)38-26-28-42-41-27-24-34(30-45(41)51(46(42)31-38)35-15-4-1-5-16-35)44-32-48-50(43-23-13-12-22-40(43)44)54-49-39-21-11-10-14-33(39)25-29-47(49)53-48;52-55(36-17-6-2-7-18-36,37-19-8-3-9-20-37)38-26-28-46-44(31-38)43-30-34(24-27-45(43)51(46)35-15-4-1-5-16-35)42-32-48-50(41-23-13-12-22-40(41)42)54-49-39-21-11-10-14-33(39)25-29-47(49)53-48;1-47(2)41-27-31(40-29-44-46(39-20-12-11-19-36(39)40)50-45-35-18-10-9-13-30(35)22-26-43(45)49-44)21-24-37(41)38-25-23-34(28-42(38)47)51(48,32-14-5-3-6-15-32)33-16-7-4-8-17-33;47-50(31-16-3-1-4-17-31,32-18-5-2-6-19-32)46-38-25-13-10-22-35(38)43(36-23-11-14-26-39(36)46)40-29-42-45(37-24-12-9-21-34(37)40)49-44-33-20-8-7-15-30(33)27-28-41(44)48-42/h1-33H;2*1-32H;3-29H,1-2H3;1-29H.

What are the key properties of 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?

2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene has a molecular weight of 3525.84 g/mol, XLogP of 60.77, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-7-diphenylphosphoryl-9-phenylcarbazole;3-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphoryl-9-phenylcarbazole;10-(10-diphenylphosphorylanthracen-9-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[10-(3-diphenylphosphorylphenyl)anthracen-9-yl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is sourced from PubChem (CID 160786926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).