12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine

C161H127B4N19 — CID 163676787

About 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine

12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine (PubChem CID 163676787) has the molecular formula C161H127B4N19 and a molecular weight of 2371.17 g/mol. Its IUPAC name is 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine.

Molecular Properties

• Compound Name: 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine
• PubChem CID: 163676787
• Molecular Formula: C161H127B4N19
• Molecular Weight: 2371.17 g/mol
• Exact Mass: 2370.09
• IUPAC Name: 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine
• SMILES: CC(C)(C)c1cc2c3c(c1)ncn3-c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1cc(C(C)(C)C)cc2ncn-3c12.Cc1cc2c3c(c1)-n1cnc4cc(C(C)(C)C)cc(c41)B3c1cc(C(C)(C)C)cc3ncn-2c13.Cc1ccc2c3c1nc(-c1ccccc1)n3-c1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1ccc(C)c2nc(-c4ccccc4)n-3c12.Cc1ccc2c3c1nc(-c1ccccc1)n3-c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccc(C)c2nc(-c4ccccc4)n-3c12
• InChI: InChI=1S/C46H30BN5.C46H32BN5.C40H36BN5.C29H29BN4/c1-27-21-23-34-43-41(27)48-45(29-13-5-3-6-14-29)51(43)38-25-31(50-36-19-11-9-17-32(36)33-18-10-12-20-37(33)50)26-39-40(38)47(34)35-24-22-28(2)42-44(35)52(39)46(49-42)30-15-7-4-8-16-30;1-29-23-25-36-43-41(29)48-45(31-15-7-3-8-16-31)51(43)38-27-35(50(33-19-11-5-12-20-33)34-21-13-6-14-22-34)28-39-40(38)47(36)37-26-24-30(2)42-44(37)52(39)46(49-42)32-17-9-4-10-18-32;1-39(2,3)25-17-30-37-32(19-25)42-23-44(37)34-21-29(46(27-13-9-7-10-14-27)28-15-11-8-12-16-28)22-35-36(34)41(30)31-18-26(40(4,5)6)20-33-38(31)45(35)24-43-33;1-16-8-23-25-24(9-16)34-15-32-22-13-18(29(5,6)7)11-20(27(22)34)30(25)19-10-17(28(2,3)4)12-21-26(19)33(23)14-31-21/h3-26H,1-2H3;3-28H,1-2H3;7-24H,1-6H3;8-15H,1-7H3
• InChIKey: JHJBYRCWACBJLA-UHFFFAOYSA-N
• XLogP: 29.47
• TPSA: 153.97 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2371.17
LogP ≤ 5	29.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine?

The IUPAC name of 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine (CID 163676787) is 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine.

What is the SMILES notation for 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine?

The canonical SMILES for 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine is CC(C)(C)c1cc2c3c(c1)ncn3-c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1cc(C(C)(C)C)cc2ncn-3c12.Cc1cc2c3c(c1)-n1cnc4cc(C(C)(C)C)cc(c41)B3c1cc(C(C)(C)C)cc3ncn-2c13.Cc1ccc2c3c1nc(-c1ccccc1)n3-c1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1ccc(C)c2nc(-c4ccccc4)n-3c12.Cc1ccc2c3c1nc(-c1ccccc1)n3-c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccc(C)c2nc(-c4ccccc4)n-3c12.

What is the InChIKey of 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine?

The InChIKey is JHJBYRCWACBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30BN5.C46H32BN5.C40H36BN5.C29H29BN4/c1-27-21-23-34-43-41(27)48-45(29-13-5-3-6-14-29)51(43)38-25-31(50-36-19-11-9-17-32(36)33-18-10-12-20-37(33)50)26-39-40(38)47(34)35-24-22-28(2)42-44(35)52(39)46(49-42)30-15-7-4-8-16-30;1-29-23-25-36-43-41(29)48-45(31-15-7-3-8-16-31)51(43)38-27-35(50(33-19-11-5-12-20-33)34-21-13-6-14-22-34)28-39-40(38)47(36)37-26-24-30(2)42-44(37)52(39)46(49-42)32-17-9-4-10-18-32;1-39(2,3)25-17-30-37-32(19-25)42-23-44(37)34-21-29(46(27-13-9-7-10-14-27)28-15-11-8-12-16-28)22-35-36(34)41(30)31-18-26(40(4,5)6)20-33-38(31)45(35)24-43-33;1-16-8-23-25-24(9-16)34-15-32-22-13-18(29(5,6)7)11-20(27(22)34)30(25)19-10-17(28(2,3)4)12-21-26(19)33(23)14-31-21/h3-26H,1-2H3;3-28H,1-2H3;7-24H,1-6H3;8-15H,1-7H3.

What are the key properties of 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine?

12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine has a molecular weight of 2371.17 g/mol, XLogP of 29.47, 11 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 12-carbazol-9-yl-5,19-dimethyl-8,16-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene;4,20-ditert-butyl-N,N-diphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaen-12-amine;4,20-ditert-butyl-12-methyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2,4,6(25),7,10,12,14(23),16,18(24),19,21-undecaene;5,19-dimethyl-N,N,8,16-tetraphenyl-7,9,15,17-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaen-12-amine is sourced from PubChem (CID 163676787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).