[6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone

C158H200N14O14P2+4 — CID 159956994

About [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone

[6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone (PubChem CID 159956994) has the molecular formula C158H200N14O14P2+4 and a molecular weight of 2581.37 g/mol. Its IUPAC name is [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone
• PubChem CID: 159956994
• Molecular Formula: C158H200N14O14P2+4
• Molecular Weight: 2581.37 g/mol
• Exact Mass: 2579.48
• IUPAC Name: [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone
• SMILES: CCCOP(OC1CCN(C(=O)c2ccccc2-c2c3ccc(=[N+](CC)CC)cc-3oc3cc(N(CC)CC)ccc23)CC1)N(C(C)C)C(C)C.CCCOP(OC1CCN(C(=O)c2ccccc2C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)CC1)N(C(C)C)C(C)C.CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCC(O)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1.O=C(c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3)N1CCC(O)CC1
• InChI: InChI=1S/C46H60N4O4P.C42H60N4O4P.C37H40N3O3.C33H40N3O3/c1-6-27-52-55(50(30(2)3)31(4)5)54-34-19-25-49(26-20-34)46(51)36-16-8-7-15-35(36)41-39-28-32-13-9-21-47-23-11-17-37(42(32)47)44(39)53-45-38-18-12-24-48-22-10-14-33(43(38)48)29-40(41)45;1-10-27-48-51(46(30(6)7)31(8)9)50-34-23-25-45(26-24-34)42(47)36-18-16-15-17-35(36)41-37-21-19-32(43(11-2)12-3)28-39(37)49-40-29-33(20-22-38(40)41)44(13-4)14-5;41-25-13-19-40(20-14-25)37(42)27-10-2-1-9-26(27)32-30-21-23-7-3-15-38-17-5-11-28(33(23)38)35(30)43-36-29-12-6-18-39-16-4-8-24(34(29)39)22-31(32)36;1-5-34(6-2)23-13-15-28-30(21-23)39-31-22-24(35(7-3)8-4)14-16-29(31)32(28)26-11-9-10-12-27(26)33(38)36-19-17-25(37)18-20-36/h7-8,15-16,28-31,34H,6,9-14,17-27H2,1-5H3;15-22,28-31,34H,10-14,23-27H2,1-9H3;1-2,9-10,21-22,25,41H,3-8,11-20H2;9-16,21-22,25,37H,5-8,17-20H2,1-4H3/q4*+1
• InChIKey: ZTBAIIGZHUCIFK-UHFFFAOYSA-N
• XLogP: 25.95
• TPSA: 234.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2581.37
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone?

The IUPAC name of [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone (CID 159956994) is [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone.

What is the SMILES notation for [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone?

The canonical SMILES for [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone is CCCOP(OC1CCN(C(=O)c2ccccc2-c2c3ccc(=[N+](CC)CC)cc-3oc3cc(N(CC)CC)ccc23)CC1)N(C(C)C)C(C)C.CCCOP(OC1CCN(C(=O)c2ccccc2C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)CC1)N(C(C)C)C(C)C.CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCC(O)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1.O=C(c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3)N1CCC(O)CC1.

What is the InChIKey of [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone?

The InChIKey is ZTBAIIGZHUCIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60N4O4P.C42H60N4O4P.C37H40N3O3.C33H40N3O3/c1-6-27-52-55(50(30(2)3)31(4)5)54-34-19-25-49(26-20-34)46(51)36-16-8-7-15-35(36)41-39-28-32-13-9-21-47-23-11-17-37(42(32)47)44(39)53-45-38-18-12-24-48-22-10-14-33(43(38)48)29-40(41)45;1-10-27-48-51(46(30(6)7)31(8)9)50-34-23-25-45(26-24-34)42(47)36-18-16-15-17-35(36)41-37-21-19-32(43(11-2)12-3)28-39(37)49-40-29-33(20-22-38(40)41)44(13-4)14-5;41-25-13-19-40(20-14-25)37(42)27-10-2-1-9-26(27)32-30-21-23-7-3-15-38-17-5-11-28(33(23)38)35(30)43-36-29-12-6-18-39-16-4-8-24(34(29)39)22-31(32)36;1-5-34(6-2)23-13-15-28-30(21-23)39-31-22-24(35(7-3)8-4)14-16-29(31)32(28)26-11-9-10-12-27(26)33(38)36-19-17-25(37)18-20-36/h7-8,15-16,28-31,34H,6,9-14,17-27H2,1-5H3;15-22,28-31,34H,10-14,23-27H2,1-9H3;1-2,9-10,21-22,25,41H,3-8,11-20H2;9-16,21-22,25,37H,5-8,17-20H2,1-4H3/q4*+1.

What are the key properties of [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone?

[6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone has a molecular weight of 2581.37 g/mol, XLogP of 25.95, 34 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(diethylamino)-9-[2-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium;[6-(diethylamino)-9-[2-(4-hydroxypiperidine-1-carbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypiperidin-1-yl]-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone;(4-hydroxypiperidin-1-yl)-[2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methanone is sourced from PubChem (CID 159956994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).