11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene

C171H148B4N10 — CID 163752886

About 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene

11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene (PubChem CID 163752886) has the molecular formula C171H148B4N10 and a molecular weight of 2386.38 g/mol. Its IUPAC name is 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene.

Molecular Properties

• Compound Name: 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene
• PubChem CID: 163752886
• Molecular Formula: C171H148B4N10
• Molecular Weight: 2386.38 g/mol
• Exact Mass: 2385.23
• IUPAC Name: 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc(-c4ccccc4)ccc1B3c1ccc(-c3ccccc3)c3c1N2CCC3.CC(C)c1cc2c3c(c1)N(c1ccccc1)c1cc(-c4ccccc4)ccc1B3c1ccc(-c3ccccc3)c3c1N2CCC3.CC(C)c1ccc2c(c1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccc(C(C)C)c2c1N3CCC2.Cc1ccc2c(c1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccc(C)c2c1N3CCC2
• InChI: InChI=1S/C45H42BN3.C43H37BN2.C42H35BN2.C41H34BN3/c1-30(2)32-22-24-39-41(27-32)49(35-19-12-7-13-20-35)43-29-36(48(33-15-8-5-9-16-33)34-17-10-6-11-18-34)28-42-44(43)46(39)40-25-23-37(31(3)4)38-21-14-26-47(42)45(38)40;1-43(2,3)32-27-39-41-40(28-32)46(33-18-11-6-12-19-33)38-26-31(29-14-7-4-8-15-29)21-23-36(38)44(41)37-24-22-34(30-16-9-5-10-17-30)35-20-13-25-45(39)42(35)37;1-28(2)32-26-39-41-40(27-32)45(33-17-10-5-11-18-33)38-25-31(29-13-6-3-7-14-29)20-22-36(38)43(41)37-23-21-34(30-15-8-4-9-16-30)35-19-12-24-44(39)42(35)37;1-28-20-22-35-37(25-28)45(32-17-10-5-11-18-32)39-27-33(44(30-13-6-3-7-14-30)31-15-8-4-9-16-31)26-38-40(39)42(35)36-23-21-29(2)34-19-12-24-43(38)41(34)36/h5-13,15-20,22-25,27-31H,14,21,26H2,1-4H3;4-12,14-19,21-24,26-28H,13,20,25H2,1-3H3;3-11,13-18,20-23,25-28H,12,19,24H2,1-2H3;3-11,13-18,20-23,25-27H,12,19,24H2,1-2H3
• InChIKey: LRODKDSAIUJJIT-UHFFFAOYSA-N
• XLogP: 36.43
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2386.38
LogP ≤ 5	36.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene?

The IUPAC name of 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene (CID 163752886) is 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene.

What is the SMILES notation for 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene?

The canonical SMILES for 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc(-c4ccccc4)ccc1B3c1ccc(-c3ccccc3)c3c1N2CCC3.CC(C)c1cc2c3c(c1)N(c1ccccc1)c1cc(-c4ccccc4)ccc1B3c1ccc(-c3ccccc3)c3c1N2CCC3.CC(C)c1ccc2c(c1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccc(C(C)C)c2c1N3CCC2.Cc1ccc2c(c1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccc(C)c2c1N3CCC2.

What is the InChIKey of 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene?

The InChIKey is LRODKDSAIUJJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42BN3.C43H37BN2.C42H35BN2.C41H34BN3/c1-30(2)32-22-24-39-41(27-32)49(35-19-12-7-13-20-35)43-29-36(48(33-15-8-5-9-16-33)34-17-10-6-11-18-34)28-42-44(43)46(39)40-25-23-37(31(3)4)38-21-14-26-47(42)45(38)40;1-43(2,3)32-27-39-41-40(28-32)46(33-18-11-6-12-19-33)38-26-31(29-14-7-4-8-15-29)21-23-36(38)44(41)37-24-22-34(30-16-9-5-10-17-30)35-20-13-25-45(39)42(35)37;1-28(2)32-26-39-41-40(27-32)45(33-17-10-5-11-18-33)38-25-31(29-13-6-3-7-14-29)20-22-36(38)43(41)37-23-21-34(30-15-8-4-9-16-30)35-19-12-24-44(39)42(35)37;1-28-20-22-35-37(25-28)45(32-17-10-5-11-18-32)39-27-33(44(30-13-6-3-7-14-30)31-15-8-4-9-16-31)26-38-40(39)42(35)36-23-21-29(2)34-19-12-24-43(38)41(34)36/h5-13,15-20,22-25,27-31H,14,21,26H2,1-4H3;4-12,14-19,21-24,26-28H,13,20,25H2,1-3H3;3-11,13-18,20-23,25-28H,12,19,24H2,1-2H3;3-11,13-18,20-23,25-27H,12,19,24H2,1-2H3.

What are the key properties of 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene?

11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene has a molecular weight of 2386.38 g/mol, XLogP of 36.43, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11-tert-butyl-5,8,19-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene;5,19-dimethyl-N,N,8-triphenyl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;N,N,8-triphenyl-5,19-di(propan-2-yl)-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaen-11-amine;5,8,19-triphenyl-11-propan-2-yl-8,14-diaza-1-borahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),18,20,22(24)-nonaene is sourced from PubChem (CID 163752886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).