[4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane

C201H130N10P6S4Se2 — CID 158922967

About [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane

[4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane (PubChem CID 158922967) has the molecular formula C201H130N10P6S4Se2 and a molecular weight of 3157.35 g/mol. Its IUPAC name is [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane.

Molecular Properties

• Compound Name: [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane
• PubChem CID: 158922967
• Molecular Formula: C201H130N10P6S4Se2
• Molecular Weight: 3157.35 g/mol
• Exact Mass: 3156.61
• IUPAC Name: [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane
• SMILES: S=P(c1ccccc1)(c1ccc(-c2ccc3c4ccccc4c4nc5ccc(-c6ccc(P(=S)(c7ccccc7)c7ccccc7)c7ccccc67)cc5n4c3c2)nc1)c1ccc2ccccc2c1.S=P(c1ccccc1)(c1ccc(-c2ccc3nc4c5c6ccccc6ccc5c5ccc(-c6cnc7cc(P(=S)(c8ccccc8)c8ccncc8)ccc7c6)cc5n4c3c2)nc1)c1ccc2ccccc2c1.[Se]=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2cc(-c3ccc4nc5c6c7ccccc7ccc6c6ccc(-c7ccc(P(=[Se])(c8ccccc8)c8ccccc8)c8ccccc78)cc6n5c4c3)ccc2c1
• InChI: InChI=1S/C75H48N2P2Se2.C64H41N5P2S2.C62H41N3P2S2/c80-78(61-35-29-49-15-7-9-18-52(49)44-61,62-36-30-50-16-8-10-19-53(50)45-62)63-37-31-55-43-54(27-28-56(55)46-63)57-34-41-70-72(47-57)77-71-48-58(33-38-67(71)69-39-32-51-17-11-12-24-65(51)74(69)75(77)76-70)64-40-42-73(68-26-14-13-25-66(64)68)79(81,59-20-3-1-4-21-59)60-22-5-2-6-23-60;72-70(49-14-3-1-4-15-49,51-31-33-65-34-32-51)53-25-20-46-35-48(40-66-60(46)39-53)45-22-27-56-57-28-21-43-12-9-10-18-55(43)63(57)64-68-59-29-23-47(38-62(59)69(64)61(56)37-45)58-30-26-54(41-67-58)71(73,50-16-5-2-6-17-50)52-24-19-42-11-7-8-13-44(42)36-52;68-66(46-18-4-1-5-19-46,49-31-28-42-16-10-11-17-43(42)38-49)50-32-36-57(63-41-50)45-29-33-54-53-25-13-15-27-56(53)62-64-58-35-30-44(39-60(58)65(62)59(54)40-45)51-34-37-61(55-26-14-12-24-52(51)55)67(69,47-20-6-2-7-21-47)48-22-8-3-9-23-48/h1-48H;1-41H;1-41H
• InChIKey: JIBMHKJNMUKQMP-UHFFFAOYSA-N
• XLogP: 43.27
• TPSA: 103.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3157.35
LogP ≤ 5	43.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane?

The IUPAC name of [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane (CID 158922967) is [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane.

What is the SMILES notation for [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane?

The canonical SMILES for [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccc(-c2ccc3c4ccccc4c4nc5ccc(-c6ccc(P(=S)(c7ccccc7)c7ccccc7)c7ccccc67)cc5n4c3c2)nc1)c1ccc2ccccc2c1.S=P(c1ccccc1)(c1ccc(-c2ccc3nc4c5c6ccccc6ccc5c5ccc(-c6cnc7cc(P(=S)(c8ccccc8)c8ccncc8)ccc7c6)cc5n4c3c2)nc1)c1ccc2ccccc2c1.[Se]=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2cc(-c3ccc4nc5c6c7ccccc7ccc6c6ccc(-c7ccc(P(=[Se])(c8ccccc8)c8ccccc8)c8ccccc78)cc6n5c4c3)ccc2c1.

What is the InChIKey of [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane?

The InChIKey is JIBMHKJNMUKQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N2P2Se2.C64H41N5P2S2.C62H41N3P2S2/c80-78(61-35-29-49-15-7-9-18-52(49)44-61,62-36-30-50-16-8-10-19-53(50)45-62)63-37-31-55-43-54(27-28-56(55)46-63)57-34-41-70-72(47-57)77-71-48-58(33-38-67(71)69-39-32-51-17-11-12-24-65(51)74(69)75(77)76-70)64-40-42-73(68-26-14-13-25-66(64)68)79(81,59-20-3-1-4-21-59)60-22-5-2-6-23-60;72-70(49-14-3-1-4-15-49,51-31-33-65-34-32-51)53-25-20-46-35-48(40-66-60(46)39-53)45-22-27-56-57-28-21-43-12-9-10-18-55(43)63(57)64-68-59-29-23-47(38-62(59)69(64)61(56)37-45)58-30-26-54(41-67-58)71(73,50-16-5-2-6-17-50)52-24-19-42-11-7-8-13-44(42)36-52;68-66(46-18-4-1-5-19-46,49-31-28-42-16-10-11-17-43(42)38-49)50-32-36-57(63-41-50)45-29-33-54-53-25-13-15-27-56(53)62-64-58-35-30-44(39-60(58)65(62)59(54)40-45)51-34-37-61(55-26-14-12-24-52(51)55)67(69,47-20-6-2-7-21-47)48-22-8-3-9-23-48/h1-48H;1-41H;1-41H.

What are the key properties of [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane?

[4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane has a molecular weight of 3157.35 g/mol, XLogP of 43.27, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-(6-dinaphthalen-2-ylphosphinoselenoylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]naphthalen-1-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[17-(4-diphenylphosphinothioylnaphthalen-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-11-yl]-3-pyridinyl]-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane;naphthalen-2-yl-phenyl-[6-[13-[7-[phenyl(pyridin-4-yl)phosphinothioyl]quinolin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-7-yl]-3-pyridinyl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 158922967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).