9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

C155H95B6N11O6S — CID 167667940

About 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 167667940) has the molecular formula C155H95B6N11O6S and a molecular weight of 2304.47 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
• PubChem CID: 167667940
• Molecular Formula: C155H95B6N11O6S
• Molecular Weight: 2304.47 g/mol
• Exact Mass: 2303.77
• IUPAC Name: 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
• SMILES: c1ccc(B2c3ccccc3Oc3c2ccc2c3B(c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3O2)cc1.c1ccc(B2c3ccccc3Oc3c2ccc2c3B(c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)c3ccccc3O2)cc1.c1ccc(B2c3ccccc3Oc3ccc4c(c32)Oc2ccccc2B4c2ccc3c(c2)c2ccccc2n3-c2nccc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C57H35B2N5O2.C51H32B2N4O2.C47H28B2N2O2S/c1-2-18-37(19-3-1)58-43-25-8-15-32-51(43)66-54-45(58)33-34-52-53(54)59(44-26-9-14-31-50(44)65-52)38-20-16-17-36(35-38)55-60-56(63-46-27-10-4-21-39(46)40-22-5-11-28-47(40)63)62-57(61-55)64-48-29-12-6-23-41(48)42-24-7-13-30-49(42)64;1-4-16-33(17-5-1)49-54-50(34-18-6-2-7-19-34)56-51(55-49)57-42-25-13-10-22-37(42)38-32-36(28-30-43(38)57)53-40-24-12-14-26-44(40)58-46-31-29-41-48(47(46)53)59-45-27-15-11-23-39(45)52(41)35-20-8-3-9-21-35;1-2-12-29(13-3-1)49-36-17-7-9-19-40(36)52-42-25-23-37-45(44(42)49)53-41-20-10-6-16-35(41)48(37)30-22-24-39-34(28-30)31-14-4-8-18-38(31)51(39)47-46-33(26-27-50-47)32-15-5-11-21-43(32)54-46/h1-35H;1-32H;1-28H
• InChIKey: SXHZPJICQOUHGM-UHFFFAOYSA-N
• XLogP: 24.31
• TPSA: 165.33 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2304.47
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?

The IUPAC name of 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (CID 167667940) is 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.

What is the SMILES notation for 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?

The canonical SMILES for 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(B2c3ccccc3Oc3c2ccc2c3B(c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3O2)cc1.c1ccc(B2c3ccccc3Oc3c2ccc2c3B(c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)c3ccccc3O2)cc1.c1ccc(B2c3ccccc3Oc3ccc4c(c32)Oc2ccccc2B4c2ccc3c(c2)c2ccccc2n3-c2nccc3c2sc2ccccc23)cc1.

What is the InChIKey of 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?

The InChIKey is SXHZPJICQOUHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35B2N5O2.C51H32B2N4O2.C47H28B2N2O2S/c1-2-18-37(19-3-1)58-43-25-8-15-32-51(43)66-54-45(58)33-34-52-53(54)59(44-26-9-14-31-50(44)65-52)38-20-16-17-36(35-38)55-60-56(63-46-27-10-4-21-39(46)40-22-5-11-28-47(40)63)62-57(61-55)64-48-29-12-6-23-41(48)42-24-7-13-30-49(42)64;1-4-16-33(17-5-1)49-54-50(34-18-6-2-7-19-34)56-51(55-49)57-42-25-13-10-22-37(42)38-32-36(28-30-43(38)57)53-40-24-12-14-26-44(40)58-46-31-29-41-48(47(46)53)59-45-27-15-11-23-39(45)52(41)35-20-8-3-9-21-35;1-2-12-29(13-3-1)49-36-17-7-9-19-40(36)52-42-25-23-37-45(44(42)49)53-41-20-10-6-16-35(41)48(37)30-22-24-39-34(28-30)31-14-4-8-18-38(31)51(39)47-46-33(26-27-50-47)32-15-5-11-21-43(32)54-46/h1-35H;1-32H;1-28H.

What are the key properties of 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?

9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 2304.47 g/mol, XLogP of 24.31, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-6-[3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)carbazole;1-[3-(22-phenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-10-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 167667940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).