19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene

C192H129B4N9O4S2 — CID 161008525

About 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene

19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene (PubChem CID 161008525) has the molecular formula C192H129B4N9O4S2 and a molecular weight of 2733.58 g/mol. Its IUPAC name is 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene.

Molecular Properties

• Compound Name: 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene
• PubChem CID: 161008525
• Molecular Formula: C192H129B4N9O4S2
• Molecular Weight: 2733.58 g/mol
• Exact Mass: 2732.00
• IUPAC Name: 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene
• SMILES: CC1(C)C2=C(c3ccccc31)N(c1ccc(-c3ccccc3)cc1)c1cccc3c1B2C1=C(N3c2ccccc2)C(C)(C)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)cc(N3c4cccc5c4B(c4oc6ccc(N(c7ccccc7)c7ccccc7)cc6c4N5c4ccccc4)c4c3oc3ccccc43)c2)cc1.c1ccc(-c2cccc(N3c4cccc5c4B(c4sc6ccc(-c7ccccc7)cc6c43)c3c(sc4ccccc34)N5c3ccccc3)c2)cc1.c1ccc(N2c3cccc4c3B(c3oc5c6ccccc6c6ccccc6c5c3N4c3ccccc3)c3c2oc2ccccc32)cc1
• InChI: InChI=1S/C58H38BN3O2.C46H29BN2S2.C46H37BN2.C42H25BN2O2/c1-6-19-39(20-7-1)41-35-42(40-21-8-2-9-22-40)37-47(36-41)62-51-31-18-30-50-55(51)59(54-48-29-16-17-32-52(48)64-58(54)62)57-56(61(50)45-27-14-5-15-28-45)49-38-46(33-34-53(49)63-57)60(43-23-10-3-11-24-43)44-25-12-4-13-26-44;1-4-14-30(15-5-1)32-18-12-21-35(28-32)48-38-23-13-24-39-43(38)47(45-44(48)37-29-33(26-27-41(37)50-45)31-16-6-2-7-17-31)42-36-22-10-11-25-40(36)51-46(42)49(39)34-19-8-3-9-20-34;1-45(2)37-23-14-12-21-35(37)42-43(45)47-40-34-20-11-13-22-36(34)46(3,4)44(40)49(32-18-9-6-10-19-32)39-25-15-24-38(41(39)47)48(42)33-28-26-31(27-29-33)30-16-7-5-8-17-30;1-3-14-26(15-4-1)44-33-23-13-24-34-38(33)43(37-32-22-11-12-25-35(32)46-42(37)45(34)27-16-5-2-6-17-27)41-39(44)36-30-20-9-7-18-28(30)29-19-8-10-21-31(29)40(36)47-41/h1-38H;1-29H;5-29H,1-4H3;1-25H
• InChIKey: TWVATNZDCUDEGA-UHFFFAOYSA-N
• XLogP: 46.01
• TPSA: 81.72 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2733.58
LogP ≤ 5	46.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene?

The IUPAC name of 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene (CID 161008525) is 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene.

What is the SMILES notation for 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene?

The canonical SMILES for 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene is CC1(C)C2=C(c3ccccc31)N(c1ccc(-c3ccccc3)cc1)c1cccc3c1B2C1=C(N3c2ccccc2)C(C)(C)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)cc(N3c4cccc5c4B(c4oc6ccc(N(c7ccccc7)c7ccccc7)cc6c4N5c4ccccc4)c4c3oc3ccccc43)c2)cc1.c1ccc(-c2cccc(N3c4cccc5c4B(c4sc6ccc(-c7ccccc7)cc6c43)c3c(sc4ccccc34)N5c3ccccc3)c2)cc1.c1ccc(N2c3cccc4c3B(c3oc5c6ccccc6c6ccccc6c5c3N4c3ccccc3)c3c2oc2ccccc32)cc1.

What is the InChIKey of 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene?

The InChIKey is TWVATNZDCUDEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38BN3O2.C46H29BN2S2.C46H37BN2.C42H25BN2O2/c1-6-19-39(20-7-1)41-35-42(40-21-8-2-9-22-40)37-47(36-41)62-51-31-18-30-50-55(51)59(54-48-29-16-17-32-52(48)64-58(54)62)57-56(61(50)45-27-14-5-15-28-45)49-38-46(33-34-53(49)63-57)60(43-23-10-3-11-24-43)44-25-12-4-13-26-44;1-4-14-30(15-5-1)32-18-12-21-35(28-32)48-38-23-13-24-39-43(38)47(45-44(48)37-29-33(26-27-41(37)50-45)31-16-6-2-7-17-31)42-36-22-10-11-25-40(36)51-46(42)49(39)34-19-8-3-9-20-34;1-45(2)37-23-14-12-21-35(37)42-43(45)47-40-34-20-11-13-22-36(34)46(3,4)44(40)49(32-18-9-6-10-19-32)39-25-15-24-38(41(39)47)48(42)33-28-26-31(27-29-33)30-16-7-5-8-17-30;1-3-14-26(15-4-1)44-33-23-13-24-34-38(33)43(37-32-22-11-12-25-35(32)46-42(37)45(34)27-16-5-2-6-17-27)41-39(44)36-30-20-9-7-18-28(30)29-19-8-10-21-31(29)40(36)47-41/h1-38H;1-29H;5-29H,1-4H3;1-25H.

What are the key properties of 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene?

19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene has a molecular weight of 2733.58 g/mol, XLogP of 46.01, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene is sourced from PubChem (CID 161008525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).