9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane

C130H87BCl3N11O8 — CID 163573184

About 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane

9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane (PubChem CID 163573184) has the molecular formula C130H87BCl3N11O8 and a molecular weight of 2048.37 g/mol. Its IUPAC name is 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane.

Molecular Properties

• Compound Name: 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane
• PubChem CID: 163573184
• Molecular Formula: C130H87BCl3N11O8
• Molecular Weight: 2048.37 g/mol
• Exact Mass: 2045.59
• IUPAC Name: 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane
• SMILES: C.CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.Clc1ccc2c(c1)oc1cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3cc12.Clc1ccc2c(c1)oc1cc3oc4cc(Cl)ccc4c3cc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5cc34)n2)cc1.c1ccc2c(c1)[nH]c1ccccc12
• InChI: InChI=1S/C45H26N4O2.C33H18ClN3O2.C21H22BN3O2.C18H8Cl2O2.C12H9N.CH4/c1-3-11-27(12-4-1)43-46-44(28-13-5-2-6-14-28)48-45(47-43)29-19-21-33-35-25-36-34-22-20-30(24-40(34)51-42(36)26-41(35)50-39(33)23-29)49-37-17-9-7-15-31(37)32-16-8-10-18-38(32)49;34-22-12-14-24-26-17-25-23-13-11-21(15-27(23)38-29(25)18-30(26)39-28(24)16-22)33-36-31(19-7-3-1-4-8-19)35-32(37-33)20-9-5-2-6-10-20;1-20(2)21(3,4)27-22(26-20)19-24-17(15-11-7-5-8-12-15)23-18(25-19)16-13-9-6-10-14-16;19-9-1-3-11-13-7-14-12-4-2-10(20)6-16(12)22-18(14)8-17(13)21-15(11)5-9;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-26H;1-18H;5-14H,1-4H3;1-8H;1-8,13H;1H4
• InChIKey: GBDSDDTUWQOZOL-UHFFFAOYSA-N
• XLogP: 35.35
• TPSA: 234.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.37
LogP ≤ 5	35.35
H-Bond Donors ≤ 5	1
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 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane?

The IUPAC name of 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane (CID 163573184) is 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane.

What is the SMILES notation for 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane?

The canonical SMILES for 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane is C.CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.Clc1ccc2c(c1)oc1cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3cc12.Clc1ccc2c(c1)oc1cc3oc4cc(Cl)ccc4c3cc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5cc34)n2)cc1.c1ccc2c(c1)[nH]c1ccccc12.

What is the InChIKey of 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane?

The InChIKey is GBDSDDTUWQOZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O2.C33H18ClN3O2.C21H22BN3O2.C18H8Cl2O2.C12H9N.CH4/c1-3-11-27(12-4-1)43-46-44(28-13-5-2-6-14-28)48-45(47-43)29-19-21-33-35-25-36-34-22-20-30(24-40(34)51-42(36)26-41(35)50-39(33)23-29)49-37-17-9-7-15-31(37)32-16-8-10-18-38(32)49;34-22-12-14-24-26-17-25-23-13-11-21(15-27(23)38-29(25)18-30(26)39-28(24)16-22)33-36-31(19-7-3-1-4-8-19)35-32(37-33)20-9-5-2-6-10-20;1-20(2)21(3,4)27-22(26-20)19-24-17(15-11-7-5-8-12-15)23-18(25-19)16-13-9-6-10-14-16;19-9-1-3-11-13-7-14-12-4-2-10(20)6-16(12)22-18(14)8-17(13)21-15(11)5-9;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-26H;1-18H;5-14H,1-4H3;1-8H;1-8,13H;1H4.

What are the key properties of 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane?

9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane has a molecular weight of 2048.37 g/mol, XLogP of 35.35, 10 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-carbazole;2-(17-chloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;7,17-dichloro-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole;methane is sourced from PubChem (CID 163573184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).