18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine

C192H124B4N8O4 — CID 161203919

About 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine

18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine (PubChem CID 161203919) has the molecular formula C192H124B4N8O4 and a molecular weight of 2650.40 g/mol. Its IUPAC name is 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine.

Molecular Properties

• Compound Name: 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine
• PubChem CID: 161203919
• Molecular Formula: C192H124B4N8O4
• Molecular Weight: 2650.40 g/mol
• Exact Mass: 2649.01
• IUPAC Name: 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine
• SMILES: c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)B2c4c(cccc4N(c4ccc5ccccc5c4)c4ccc5ccccc5c42)O3)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)B2c4c(cccc4N(c4ccccc4)c4c2c2ccccc2c2ccccc42)O3)cc1.c1ccc(N2c3cc4c5ccccc5c5ccccc5c4cc3B3c4c(cccc42)Oc2cc(N(c4ccccc4)c4ccccc4)c4ccccc4c23)cc1.c1ccc(N2c3cccc4c3B(c3c2ccc2ccccc32)c2c(cc(N(c3ccccc3)c3ccccc3)c3ccccc23)O4)cc1
• InChI: InChI=1S/C52H33BN2O.2C48H31BN2O.C44H29BN2O/c1-4-17-34(18-5-1)54(35-19-6-2-7-20-35)47-33-50-51(42-28-15-14-27-41(42)47)53-45-31-43-39-25-12-10-23-37(39)38-24-11-13-26-40(38)44(43)32-48(45)55(36-21-8-3-9-22-36)46-29-16-30-49(56-50)52(46)53;1-4-17-32(18-5-1)50(33-19-6-2-7-20-33)42-31-44-45(39-27-14-12-25-37(39)42)49-46-38-26-13-10-23-35(38)36-24-11-15-28-40(36)48(46)51(34-21-8-3-9-22-34)41-29-16-30-43(52-44)47(41)49;1-3-17-35(18-4-1)50(36-19-5-2-6-20-36)43-31-45-47(40-23-12-11-22-39(40)43)49-46-38-21-10-9-15-33(38)27-29-42(46)51(41-24-13-25-44(52-45)48(41)49)37-28-26-32-14-7-8-16-34(32)30-37;1-4-16-31(17-5-1)46(32-18-6-2-7-19-32)39-29-41-43(36-24-13-12-23-35(36)39)45-42-34-22-11-10-15-30(34)27-28-38(42)47(33-20-8-3-9-21-33)37-25-14-26-40(48-41)44(37)45/h1-33H;2*1-31H;1-29H
• InChIKey: UVIQUKWCQLLXQB-UHFFFAOYSA-N
• XLogP: 44.08
• TPSA: 62.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2650.40
LogP ≤ 5	44.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine?

The IUPAC name of 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine (CID 161203919) is 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine.

What is the SMILES notation for 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine?

The canonical SMILES for 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine is c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)B2c4c(cccc4N(c4ccc5ccccc5c4)c4ccc5ccccc5c42)O3)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)B2c4c(cccc4N(c4ccccc4)c4c2c2ccccc2c2ccccc42)O3)cc1.c1ccc(N2c3cc4c5ccccc5c5ccccc5c4cc3B3c4c(cccc42)Oc2cc(N(c4ccccc4)c4ccccc4)c4ccccc4c23)cc1.c1ccc(N2c3cccc4c3B(c3c2ccc2ccccc32)c2c(cc(N(c3ccccc3)c3ccccc3)c3ccccc23)O4)cc1.

What is the InChIKey of 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine?

The InChIKey is UVIQUKWCQLLXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33BN2O.2C48H31BN2O.C44H29BN2O/c1-4-17-34(18-5-1)54(35-19-6-2-7-20-35)47-33-50-51(42-28-15-14-27-41(42)47)53-45-31-43-39-25-12-10-23-37(39)38-24-11-13-26-40(38)44(43)32-48(45)55(36-21-8-3-9-22-36)46-29-16-30-49(56-50)52(46)53;1-4-17-32(18-5-1)50(33-19-6-2-7-20-33)42-31-44-45(39-27-14-12-25-37(39)42)49-46-38-26-13-10-23-35(38)36-24-11-15-28-40(36)48(46)51(34-21-8-3-9-22-34)41-29-16-30-43(52-44)47(41)49;1-3-17-35(18-4-1)50(36-19-5-2-6-20-36)43-31-45-47(40-23-12-11-22-39(40)43)49-46-38-21-10-9-15-33(38)27-29-42(46)51(41-24-13-25-44(52-45)48(41)49)37-28-26-32-14-7-8-16-34(32)30-37;1-4-16-31(17-5-1)46(32-18-6-2-7-19-32)39-29-41-43(36-24-13-12-23-35(36)39)45-42-34-22-11-10-15-30(34)27-28-38(42)47(33-20-8-3-9-21-33)37-25-14-26-40(48-41)44(37)45/h1-33H;2*1-31H;1-29H.

What are the key properties of 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine?

18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine has a molecular weight of 2650.40 g/mol, XLogP of 44.08, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 18-naphthalen-2-yl-N,N-diphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine;N,N,20-triphenyl-26-oxa-20-aza-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine;N,N,16-triphenyl-22-oxa-16-aza-1-boraoctacyclo[15.15.1.02,15.03,8.09,14.021,33.023,32.026,31]tritriaconta-2(15),3,5,7,9,11,13,17(33),18,20,23(32),24,26,28,30-pentadecaen-25-amine is sourced from PubChem (CID 161203919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).