17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]

C203H120N12O5 — CID 158635630

About 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]

17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene] (PubChem CID 158635630) has the molecular formula C203H120N12O5 and a molecular weight of 2807.27 g/mol. Its IUPAC name is 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene].

Molecular Properties

• Compound Name: 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]
• PubChem CID: 158635630
• Molecular Formula: C203H120N12O5
• Molecular Weight: 2807.27 g/mol
• Exact Mass: 2804.95
• IUPAC Name: 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(cc3c3c5ccccc5ccc32)-c2ccccc2C42c3ccccc3Oc3ccccc32)cc1.c1ccc(-n2c3cc4c(cc3c3cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc32)-c2ccccc2C42c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C55H32N2O2.C50H30N4O.2C49H29N3O/c1-3-15-33(16-4-1)56-46-28-27-37-36-20-8-12-24-50(36)59-54(37)53(46)41-30-40-39-29-38-35-19-7-9-21-42(35)55(43-22-10-13-25-51(43)58-52-26-14-11-23-44(52)55)45(38)31-47(39)57(48(40)32-49(41)56)34-17-5-2-6-18-34;1-3-16-32(17-4-1)47-51-48(33-18-5-2-6-19-33)53-49(52-47)54-42-28-27-31-15-7-8-20-34(31)46(42)37-29-36-35-21-9-10-22-38(35)50(41(36)30-43(37)54)39-23-11-13-25-44(39)55-45-26-14-12-24-40(45)50;1-2-15-31(16-3-1)47-34-19-7-11-23-41(34)50-48(51-47)52-42-27-26-30-14-4-5-17-32(30)46(42)36-28-35-33-18-6-8-20-37(33)49(40(35)29-43(36)52)38-21-9-12-24-44(38)53-45-25-13-10-22-39(45)49;1-2-15-31(16-3-1)47-48(51-41-23-11-10-22-40(41)50-47)52-42-27-26-30-14-4-5-17-32(30)46(42)35-28-34-33-18-6-7-19-36(33)49(39(34)29-43(35)52)37-20-8-12-24-44(37)53-45-25-13-9-21-38(45)49/h1-32H;1-30H;2*1-29H
• InChIKey: HZSUYMBMWVHAKB-UHFFFAOYSA-N
• XLogP: 50.21
• TPSA: 164.94 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2807.27
LogP ≤ 5	50.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]?

The IUPAC name of 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene] (CID 158635630) is 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene].

What is the SMILES notation for 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]?

The canonical SMILES for 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene] is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(cc3c3c5ccccc5ccc32)-c2ccccc2C42c3ccccc3Oc3ccccc32)cc1.c1ccc(-n2c3cc4c(cc3c3cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc32)-c2ccccc2C42c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]?

The InChIKey is HZSUYMBMWVHAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N2O2.C50H30N4O.2C49H29N3O/c1-3-15-33(16-4-1)56-46-28-27-37-36-20-8-12-24-50(36)59-54(37)53(46)41-30-40-39-29-38-35-19-7-9-21-42(35)55(43-22-10-13-25-51(43)58-52-26-14-11-23-44(52)55)45(38)31-47(39)57(48(40)32-49(41)56)34-17-5-2-6-18-34;1-3-16-32(17-4-1)47-51-48(33-18-5-2-6-19-33)53-49(52-47)54-42-28-27-31-15-7-8-20-34(31)46(42)37-29-36-35-21-9-10-22-38(35)50(41(36)30-43(37)54)39-23-11-13-25-44(39)55-45-26-14-12-24-40(45)50;1-2-15-31(16-3-1)47-34-19-7-11-23-41(34)50-48(51-47)52-42-27-26-30-14-4-5-17-32(30)46(42)36-28-35-33-18-6-8-20-37(33)49(40(35)29-43(36)52)38-21-9-12-24-44(38)53-45-25-13-10-22-39(45)49;1-2-15-31(16-3-1)47-48(51-41-23-11-10-22-40(41)50-47)52-42-27-26-30-14-4-5-17-32(30)46(42)35-28-34-33-18-6-7-19-36(33)49(39(34)29-43(35)52)37-20-8-12-24-44(37)53-45-25-13-9-21-38(45)49/h1-32H;1-30H;2*1-29H.

What are the key properties of 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]?

17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene] has a molecular weight of 2807.27 g/mol, XLogP of 50.21, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene] is sourced from PubChem (CID 158635630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).