9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane

C84H60BClN8O4 — CID 160743240

IUPAC9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C39H24N4O.C24H23BO3.C21H13ClN4/c1-3-12-25(13-4-1)28-18-11-21-34-36(28)31-23-22-27(24-35(31)44-34)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-32-19-9-7-16-29(32)30-17-8-10-20-33(30)43;1-23(2)24(3,4)28-25(27-23)17-13-14-19-21(15-17)26-20-12-8-11-18(22(19)20)16-9-6-5-7-10-16;22-20-23-19(14-8-2-1-3-9-14)24-21(25-20)26-17-12-6-4-10-15(17)16-11-5-7-13-18(16)26/h1-24H;5-15H,1-4H3;1-13H
InChIKeyRVWCDIKQGDADNL-UHFFFAOYSA-N
MW1291.72 g/mol
LogP20.71
Rot. Bonds8

About 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane

9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane (PubChem CID 160743240) has the molecular formula C84H60BClN8O4 and a molecular weight of 1291.72 g/mol. Its IUPAC name is 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane
PubChem CID160743240
Molecular FormulaC84H60BClN8O4
Molecular Weight1291.72 g/mol
Exact Mass1290.45
IUPAC Name9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C39H24N4O.C24H23BO3.C21H13ClN4/c1-3-12-25(13-4-1)28-18-11-21-34-36(28)31-23-22-27(24-35(31)44-34)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-32-19-9-7-16-29(32)30-17-8-10-20-33(30)43;1-23(2)24(3,4)28-25(27-23)17-13-14-19-21(15-17)26-20-12-8-11-18(22(19)20)16-9-6-5-7-10-16;22-20-23-19(14-8-2-1-3-9-14)24-21(25-20)26-17-12-6-4-10-15(17)16-11-5-7-13-18(16)26/h1-24H;5-15H,1-4H3;1-13H
InChIKeyRVWCDIKQGDADNL-UHFFFAOYSA-N
XLogP20.71
TPSA131.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.72
LogP ≤ 520.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

9-[3-[4-phenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147372231
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
11-phenyl-12-[4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165166724
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009424
5'-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 169014332
2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161330237
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane
CID 158308291
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane
CID 158322938
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093
9-[7-[4-[[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl]dibenzofuran-3-yl]carbazole
CID 174073046
CID 160737271
CID 160737271

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The IUPAC name of 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane (CID 160743240) is 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The InChIKey is RVWCDIKQGDADNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O.C24H23BO3.C21H13ClN4/c1-3-12-25(13-4-1)28-18-11-21-34-36(28)31-23-22-27(24-35(31)44-34)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-32-19-9-7-16-29(32)30-17-8-10-20-33(30)43;1-23(2)24(3,4)28-25(27-23)17-13-14-19-21(15-17)26-20-12-8-11-18(22(19)20)16-9-6-5-7-10-16;22-20-23-19(14-8-2-1-3-9-14)24-21(25-20)26-17-12-6-4-10-15(17)16-11-5-7-13-18(16)26/h1-24H;5-15H,1-4H3;1-13H.
What are the key properties of 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane?
9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane has a molecular weight of 1291.72 g/mol, XLogP of 20.71, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160743240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).