13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene

C216H132N4O4 — CID 157358215

About 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene

13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene (PubChem CID 157358215) has the molecular formula C216H132N4O4 and a molecular weight of 2847.46 g/mol. Its IUPAC name is 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene.

Molecular Properties

• Compound Name: 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene
• PubChem CID: 157358215
• Molecular Formula: C216H132N4O4
• Molecular Weight: 2847.46 g/mol
• Exact Mass: 2845.02
• IUPAC Name: 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)cc4cc5cc(-c6ccc7ccccc7c6)c6cc7c(cc6c5cc4c3cc21)C(C)(C)c1ccccc1-7.c1ccc(-n2c3ccccc3c3cc4c(-c5ccc6ccccc6c5)cc5cc6cc(-c7ccc8ccccc8c7)c7cc8c9ccccc9n(-c9ccccc9)c8cc7c6cc5c4cc32)cc1.c1ccc2cc(-c3cc4cc5cc(-c6ccc7ccccc7c6)c6c7ccoc7ccc6c5cc4c4ccc5occc5c34)ccc2c1.c1cnc2cc(-c3cc4cc5cc(-c6ccc7cccnc7c6)c6ccc7ccoc7c6c5cc4c4c3ccc3ccoc34)ccc2c1
• InChI: InChI=1S/C66H40N2.C60H42.C46H26O2.C44H24N2O2/c1-3-19-49(20-4-1)67-63-25-13-11-23-51(63)61-37-57-53(45-29-27-41-15-7-9-17-43(41)31-45)34-47-33-48-35-54(46-30-28-42-16-8-10-18-44(42)32-46)58-38-62-52-24-12-14-26-64(52)68(50-21-5-2-6-22-50)66(62)40-60(58)56(48)36-55(47)59(57)39-65(61)67;1-59(2)55-19-11-9-17-43(55)53-31-49-45(39-23-21-35-13-5-7-15-37(35)25-39)28-41-27-42-29-46(40-24-22-36-14-6-8-16-38(36)26-40)50-32-54-44-18-10-12-20-56(44)60(3,4)58(54)34-52(50)48(42)30-47(41)51(49)33-57(53)59;1-3-7-29-21-31(11-9-27(29)5-1)41-24-33-23-34-25-42(32-12-10-28-6-2-4-8-30(28)22-32)46-36(14-16-44-38(46)18-20-48-44)40(34)26-39(33)35-13-15-43-37(45(35)41)17-19-47-43;1-3-25-5-7-29(22-39(25)45-15-1)35-20-31-19-32-21-36(30-8-6-26-4-2-16-46-40(26)23-30)34-12-10-28-14-18-48-44(28)42(34)38(32)24-37(31)41-33(35)11-9-27-13-17-47-43(27)41/h1-40H;5-34H,1-4H3;1-26H;1-24H
• InChIKey: BIIKCKOKGVUAIQ-UHFFFAOYSA-N
• XLogP: 60.34
• TPSA: 88.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2847.46
LogP ≤ 5	60.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene?

The IUPAC name of 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene (CID 157358215) is 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene.

What is the SMILES notation for 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene?

The canonical SMILES for 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene is CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)cc4cc5cc(-c6ccc7ccccc7c6)c6cc7c(cc6c5cc4c3cc21)C(C)(C)c1ccccc1-7.c1ccc(-n2c3ccccc3c3cc4c(-c5ccc6ccccc6c5)cc5cc6cc(-c7ccc8ccccc8c7)c7cc8c9ccccc9n(-c9ccccc9)c8cc7c6cc5c4cc32)cc1.c1ccc2cc(-c3cc4cc5cc(-c6ccc7ccccc7c6)c6c7ccoc7ccc6c5cc4c4ccc5occc5c34)ccc2c1.c1cnc2cc(-c3cc4cc5cc(-c6ccc7cccnc7c6)c6ccc7ccoc7c6c5cc4c4c3ccc3ccoc34)ccc2c1.

What is the InChIKey of 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene?

The InChIKey is BIIKCKOKGVUAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2.C60H42.C46H26O2.C44H24N2O2/c1-3-19-49(20-4-1)67-63-25-13-11-23-51(63)61-37-57-53(45-29-27-41-15-7-9-17-43(41)31-45)34-47-33-48-35-54(46-30-28-42-16-8-10-18-44(42)32-46)58-38-62-52-24-12-14-26-64(52)68(50-21-5-2-6-22-50)66(62)40-60(58)56(48)36-55(47)59(57)39-65(61)67;1-59(2)55-19-11-9-17-43(55)53-31-49-45(39-23-21-35-13-5-7-15-37(35)25-39)28-41-27-42-29-46(40-24-22-36-14-6-8-16-38(36)26-40)50-32-54-44-18-10-12-20-56(44)60(3,4)58(54)34-52(50)48(42)30-47(41)51(49)33-57(53)59;1-3-7-29-21-31(11-9-27(29)5-1)41-24-33-23-34-25-42(32-12-10-28-6-2-4-8-30(28)22-32)46-36(14-16-44-38(46)18-20-48-44)40(34)26-39(33)35-13-15-43-37(45(35)41)17-19-47-43;1-3-25-5-7-29(22-39(25)45-15-1)35-20-31-19-32-21-36(30-8-6-26-4-2-16-46-40(26)23-30)34-12-10-28-14-18-48-44(28)42(34)38(32)24-37(31)41-33(35)11-9-27-13-17-47-43(27)41/h1-40H;5-34H,1-4H3;1-26H;1-24H.

What are the key properties of 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene?

13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene has a molecular weight of 2847.46 g/mol, XLogP of 60.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 13,19-dinaphthalen-2-yl-8,24-dioxaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaene;17,23-dinaphthalen-2-yl-7,33-diphenyl-7,33-diazanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaene;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline;7,7,33,33-tetramethyl-17,23-dinaphthalen-2-ylnonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4,6(14),8,10,12,15,17,19,21,23,25,27,29,31,34-heptadecaene is sourced from PubChem (CID 157358215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).