11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene

C129H81B3N8S3 — CID 163826484

About 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene

11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene (PubChem CID 163826484) has the molecular formula C129H81B3N8S3 and a molecular weight of 1871.76 g/mol. Its IUPAC name is 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene
• PubChem CID: 163826484
• Molecular Formula: C129H81B3N8S3
• Molecular Weight: 1871.76 g/mol
• Exact Mass: 1870.60
• IUPAC Name: 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene
• SMILES: c1ccc(-c2ccc3c(c2)Sc2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2cc(-c3ccccc3)cc3ncn-4c23)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2cc(-c3ccccc3)cc3nc(-c5ccccc5)n-4c23)cc1.c1ccc(-c2ccc3c(c2)Sc2cccc4c2B3c2cc(-c3ccccc3)cc3nc(-c5ccccc5)n-4c23)cc1
• InChI: InChI=1S/C49H32BN3S.C43H26BN3S.C37H23BN2S/c1-6-16-33(17-7-1)36-26-27-41-45(30-36)54-46-32-40(52(38-22-12-4-13-23-38)39-24-14-5-15-25-39)31-44-47(46)50(41)42-28-37(34-18-8-2-9-19-34)29-43-48(42)53(44)49(51-43)35-20-10-3-11-21-35;1-3-11-27(12-4-1)29-19-20-34-40(23-29)48-41-25-31(47-37-17-9-7-15-32(37)33-16-8-10-18-38(33)47)24-39-42(41)44(34)35-21-30(28-13-5-2-6-14-28)22-36-43(35)46(39)26-45-36;1-4-11-24(12-5-1)27-19-20-29-34(23-27)41-33-18-10-17-32-35(33)38(29)30-21-28(25-13-6-2-7-14-25)22-31-36(30)40(32)37(39-31)26-15-8-3-9-16-26/h1-32H;1-26H;1-23H
• InChIKey: NZXPLZJCQNZPBX-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 61.63 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.76
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene?

The IUPAC name of 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene (CID 163826484) is 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene.

What is the SMILES notation for 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene?

The canonical SMILES for 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene is c1ccc(-c2ccc3c(c2)Sc2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2cc(-c3ccccc3)cc3ncn-4c23)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2cc(-c3ccccc3)cc3nc(-c5ccccc5)n-4c23)cc1.c1ccc(-c2ccc3c(c2)Sc2cccc4c2B3c2cc(-c3ccccc3)cc3nc(-c5ccccc5)n-4c23)cc1.

What is the InChIKey of 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene?

The InChIKey is NZXPLZJCQNZPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32BN3S.C43H26BN3S.C37H23BN2S/c1-6-16-33(17-7-1)36-26-27-41-45(30-36)54-46-32-40(52(38-22-12-4-13-23-38)39-24-14-5-15-25-39)31-44-47(46)50(41)42-28-37(34-18-8-2-9-19-34)29-43-48(42)53(44)49(51-43)35-20-10-3-11-21-35;1-3-11-27(12-4-1)29-19-20-34-40(23-29)48-41-25-31(47-37-17-9-7-15-32(37)33-16-8-10-18-38(33)47)24-39-42(41)44(34)35-21-30(28-13-5-2-6-14-28)22-36-43(35)46(39)26-45-36;1-4-11-24(12-5-1)27-19-20-29-34(23-27)41-33-18-10-17-32-35(33)38(29)30-21-28(25-13-6-2-7-14-25)22-31-36(30)40(32)37(39-31)26-15-8-3-9-16-26/h1-32H;1-26H;1-23H.

What are the key properties of 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene?

11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene has a molecular weight of 1871.76 g/mol, XLogP of 26.86, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-5,19-diphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene;N,N,5,15,19-pentakis-phenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaen-11-amine;5,15,19-triphenyl-8-thia-14,16-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17(23),18,20-decaene is sourced from PubChem (CID 163826484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).