12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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

C126H77B3N14 — CID 163434121

About 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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

12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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 (PubChem CID 163434121) has the molecular formula C126H77B3N14 and a molecular weight of 1819.54 g/mol. Its IUPAC name is 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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.

Molecular Properties

• Compound Name: 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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
• PubChem CID: 163434121
• Molecular Formula: C126H77B3N14
• Molecular Weight: 1819.54 g/mol
• Exact Mass: 1818.67
• IUPAC Name: 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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
• SMILES: c1ccc(-c2cc3c4c(c2)-n2cnc5cc(-c6ccccc6)cc(c52)B4c2cc(-c4ccccc4)cc4ncn-3c24)cc1.c1ccc(-c2cc3c4c(c2)ncn4-c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2cc(-c3ccccc3)cc3ncn-4c23)cc1.c1ccc(-c2cc3c4c(c2)ncn4-c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2cc(-c3ccccc3)cc3ncn-4c23)cc1
• InChI: InChI=1S/C44H26BN5.C44H28BN5.C38H23BN4/c1-3-11-27(12-4-1)29-19-34-43-36(21-29)46-25-48(43)40-23-31(50-38-17-9-7-15-32(38)33-16-8-10-18-39(33)50)24-41-42(40)45(34)35-20-30(28-13-5-2-6-14-28)22-37-44(35)49(41)26-47-37;1-5-13-29(14-6-1)31-21-36-43-38(23-31)46-27-48(43)40-25-35(50(33-17-9-3-10-18-33)34-19-11-4-12-20-34)26-41-42(40)45(36)37-22-32(30-15-7-2-8-16-30)24-39-44(37)49(41)28-47-39;1-4-10-24(11-5-1)27-16-30-37-32(18-27)40-22-42(37)34-20-29(26-14-8-3-9-15-26)21-35-36(34)39(30)31-17-28(25-12-6-2-7-13-25)19-33-38(31)43(35)23-41-33/h1-26H;1-28H;1-23H
• InChIKey: ASZOIEWEUQJDIL-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 115.09 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1819.54
LogP ≤ 5	22.76
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 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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?

The IUPAC name of 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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 (CID 163434121) is 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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.

What is the SMILES notation for 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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?

The canonical SMILES for 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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 is c1ccc(-c2cc3c4c(c2)-n2cnc5cc(-c6ccccc6)cc(c52)B4c2cc(-c4ccccc4)cc4ncn-3c24)cc1.c1ccc(-c2cc3c4c(c2)ncn4-c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2cc(-c3ccccc3)cc3ncn-4c23)cc1.c1ccc(-c2cc3c4c(c2)ncn4-c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2cc(-c3ccccc3)cc3ncn-4c23)cc1.

What is the InChIKey of 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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?

The InChIKey is ASZOIEWEUQJDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26BN5.C44H28BN5.C38H23BN4/c1-3-11-27(12-4-1)29-19-34-43-36(21-29)46-25-48(43)40-23-31(50-38-17-9-7-15-32(38)33-16-8-10-18-39(33)50)24-41-42(40)45(34)35-20-30(28-13-5-2-6-14-28)22-37-44(35)49(41)26-47-37;1-5-13-29(14-6-1)31-21-36-43-38(23-31)46-27-48(43)40-25-35(50(33-17-9-3-10-18-33)34-19-11-4-12-20-34)26-41-42(40)45(36)37-22-32(30-15-7-2-8-16-30)24-39-44(37)49(41)28-47-39;1-4-10-24(11-5-1)27-16-30-37-32(18-27)40-22-42(37)34-20-29(26-14-8-3-9-15-26)21-35-36(34)39(30)31-17-28(25-12-6-2-7-13-25)19-33-38(31)43(35)23-41-33/h1-26H;1-28H;1-23H.

What are the key properties of 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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?

12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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 has a molecular weight of 1819.54 g/mol, XLogP of 22.76, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 12-carbazol-9-yl-4,20-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-undecaene;N,N,4,20-tetraphenyl-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;4,12,20-triphenyl-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 is sourced from PubChem (CID 163434121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).