15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine

C228H162B4N14 — CID 161386257

About 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine

15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine (PubChem CID 161386257) has the molecular formula C228H162B4N14 and a molecular weight of 3141.15 g/mol. Its IUPAC name is 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine.

Molecular Properties

• Compound Name: 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine
• PubChem CID: 161386257
• Molecular Formula: C228H162B4N14
• Molecular Weight: 3141.15 g/mol
• Exact Mass: 3139.35
• IUPAC Name: 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine
• SMILES: Cc1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(ccc3ccccc13)N2c1ccccc1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1cc3c4ccccc4n(-c4ccccc4)c3cc1N2c1ccccc1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1ccc(-c3ccccc3)cc1N2c1cccc(-c2ccccc2)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1
• InChI: InChI=1S/C59H41BN4.C59H43BN4.C59H42BN3.C51H36BN3/c1-40-35-55-59-56(36-40)64(45-29-15-6-16-30-45)57-39-52(61(41-21-7-2-8-22-41)42-23-9-3-10-24-42)46-31-17-18-33-48(46)58(57)60(59)50-37-49-47-32-19-20-34-51(47)62(43-25-11-4-12-26-43)53(49)38-54(50)63(55)44-27-13-5-14-28-44;1-42-38-55-59-56(39-42)64(48-32-18-7-19-33-48)57-41-53(62(45-26-12-4-13-27-45)46-28-14-5-15-29-46)50-34-20-21-35-51(50)58(57)60(59)52-37-36-49(40-54(52)63(55)47-30-16-6-17-31-47)61(43-22-8-2-9-23-43)44-24-10-3-11-25-44;1-41-36-55-59-56(37-41)63(49-31-19-24-44(38-49)42-20-7-2-8-21-42)54-39-45(43-22-9-3-10-23-43)34-35-52(54)60(59)58-51-33-18-17-32-50(51)53(40-57(58)62(55)48-29-15-6-16-30-48)61(46-25-11-4-12-26-46)47-27-13-5-14-28-47;1-35-32-46-51-47(33-35)55(40-25-12-5-13-26-40)48-34-45(53(37-19-6-2-7-20-37)38-21-8-3-9-22-38)42-28-16-17-29-43(42)50(48)52(51)49-41-27-15-14-18-36(41)30-31-44(49)54(46)39-23-10-4-11-24-39/h2-39H,1H3;2-41H,1H3;2-40H,1H3;2-34H,1H3
• InChIKey: VSJSGODUTPNHEP-UHFFFAOYSA-N
• XLogP: 53.86
• TPSA: 47.05 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3141.15
LogP ≤ 5	53.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine?

The IUPAC name of 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine (CID 161386257) is 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine.

What is the SMILES notation for 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine?

The canonical SMILES for 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine is Cc1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(ccc3ccccc13)N2c1ccccc1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1cc3c4ccccc4n(-c4ccccc4)c3cc1N2c1ccccc1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1ccc(-c3ccccc3)cc1N2c1cccc(-c2ccccc2)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1.

What is the InChIKey of 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine?

The InChIKey is VSJSGODUTPNHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41BN4.C59H43BN4.C59H42BN3.C51H36BN3/c1-40-35-55-59-56(36-40)64(45-29-15-6-16-30-45)57-39-52(61(41-21-7-2-8-22-41)42-23-9-3-10-24-42)46-31-17-18-33-48(46)58(57)60(59)50-37-49-47-32-19-20-34-51(47)62(43-25-11-4-12-26-43)53(49)38-54(50)63(55)44-27-13-5-14-28-44;1-42-38-55-59-56(39-42)64(48-32-18-7-19-33-48)57-41-53(62(45-26-12-4-13-27-45)46-28-14-5-15-29-46)50-34-20-21-35-51(50)58(57)60(59)52-37-36-49(40-54(52)63(55)47-30-16-6-17-31-47)61(43-22-8-2-9-23-43)44-24-10-3-11-25-44;1-41-36-55-59-56(37-41)63(49-31-19-24-44(38-49)42-20-7-2-8-21-42)54-39-45(43-22-9-3-10-23-43)34-35-52(54)60(59)58-51-33-18-17-32-50(51)53(40-57(58)62(55)48-29-15-6-16-30-48)61(46-25-11-4-12-26-46)47-27-13-5-14-28-47;1-35-32-46-51-47(33-35)55(40-25-12-5-13-26-40)48-34-45(53(37-19-6-2-7-20-37)38-21-8-3-9-22-38)42-28-16-17-29-43(42)50(48)52(51)49-41-27-15-14-18-36(41)30-31-44(49)54(46)39-23-10-4-11-24-39/h2-39H,1H3;2-41H,1H3;2-40H,1H3;2-34H,1H3.

What are the key properties of 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine?

15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine has a molecular weight of 3141.15 g/mol, XLogP of 53.86, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 15-methyl-9-N,9-N,21-N,21-N,12,18-hexakis-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,12,18,22-pentakis-phenyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine;15-methyl-N,N,12,18-tetraphenyl-12,18-diaza-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;15-methyl-N,N,12,21-tetraphenyl-18-(3-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaen-9-amine is sourced from PubChem (CID 161386257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).