9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole

C90H46B2N10O6 — CID 163744644

About 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole

9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole (PubChem CID 163744644) has the molecular formula C90H46B2N10O6 and a molecular weight of 1385.05 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole
• PubChem CID: 163744644
• Molecular Formula: C90H46B2N10O6
• Molecular Weight: 1385.05 g/mol
• Exact Mass: 1384.38
• IUPAC Name: 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole
• SMILES: c1cc2c3c(c1)Oc1cc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccc9c%10c8Oc8cccc%11c8B%10c8c(cccc8O9)O%11)nc(-n8c9ccccc9c9ccccc98)n7)ccc65)n4)cc4c1B3c1c(cccc1O4)O2
• InChI: InChI=1S/C90H46B2N10O6/c1-7-23-59-50(17-1)51-18-2-8-24-60(51)99(59)87-93-85(49-45-76-82-77(46-49)107-73-35-15-30-68-79(73)91(82)78-67(103-68)29-14-34-72(78)106-76)94-88(97-87)101-63-27-11-5-21-54(63)57-43-47(37-40-65(57)101)48-38-41-66-58(44-48)55-22-6-12-28-64(55)102(66)90-96-86(95-89(98-90)100-61-25-9-3-19-52(61)53-20-4-10-26-62(53)100)56-39-42-75-83-84(56)108-74-36-16-33-71-81(74)92(83)80-69(104-71)31-13-32-70(80)105-75/h1-46H
• InChIKey: LKTUSIOPPRTSJX-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 152.44 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1385.05
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole?

The IUPAC name of 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole (CID 163744644) is 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole.

What is the SMILES notation for 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole?

The canonical SMILES for 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole is c1cc2c3c(c1)Oc1cc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccc9c%10c8Oc8cccc%11c8B%10c8c(cccc8O9)O%11)nc(-n8c9ccccc9c9ccccc98)n7)ccc65)n4)cc4c1B3c1c(cccc1O4)O2.

What is the InChIKey of 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole?

The InChIKey is LKTUSIOPPRTSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H46B2N10O6/c1-7-23-59-50(17-1)51-18-2-8-24-60(51)99(59)87-93-85(49-45-76-82-77(46-49)107-73-35-15-30-68-79(73)91(82)78-67(103-68)29-14-34-72(78)106-76)94-88(97-87)101-63-27-11-5-21-54(63)57-43-47(37-40-65(57)101)48-38-41-66-58(44-48)55-22-6-12-28-64(55)102(66)90-96-86(95-89(98-90)100-61-25-9-3-19-52(61)53-20-4-10-26-62(53)100)56-39-42-75-83-84(56)108-74-36-16-33-71-81(74)92(83)80-69(104-71)31-13-32-70(80)105-75/h1-46H.

What are the key properties of 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole?

9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole has a molecular weight of 1385.05 g/mol, XLogP of 17.11, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-3-[9-[4-carbazol-9-yl-6-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 163744644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).