9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C116H126BClF2N8O2 — CID 157081610

IUPAC9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc3F)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(Cl)ccc3F)n2)cc(C(C)(C)C)c1.CC1(C)OB(c2ccccc2-n2c3ccccc3c3ccccc32)OC1(C)C
InChIInChI=1S/C55H57FN4.C37H45ClFN3.C24H24BNO2/c1-52(2,3)37-27-35(28-38(32-37)53(4,5)6)49-57-50(36-29-39(54(7,8)9)33-40(30-36)55(10,11)12)59-51(58-49)44-31-34(25-26-45(44)56)41-19-13-16-22-46(41)60-47-23-17-14-20-42(47)43-21-15-18-24-48(43)60;1-34(2,3)24-15-22(16-25(19-24)35(4,5)6)31-40-32(42-33(41-31)29-21-28(38)13-14-30(29)39)23-17-26(36(7,8)9)20-27(18-23)37(10,11)12;1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26/h13-33H,1-12H3;13-21H,1-12H3;5-16H,1-4H3
InChIKeyADPMXHDDPZJKCT-UHFFFAOYSA-N
MW1748.60 g/mol
LogP30.90
Rot. Bonds10

About 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 157081610) has the molecular formula C116H126BClF2N8O2 and a molecular weight of 1748.60 g/mol. Its IUPAC name is 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID157081610
Molecular FormulaC116H126BClF2N8O2
Molecular Weight1748.60 g/mol
Exact Mass1746.98
IUPAC Name9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc3F)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(Cl)ccc3F)n2)cc(C(C)(C)C)c1.CC1(C)OB(c2ccccc2-n2c3ccccc3c3ccccc32)OC1(C)C
InChIInChI=1S/C55H57FN4.C37H45ClFN3.C24H24BNO2/c1-52(2,3)37-27-35(28-38(32-37)53(4,5)6)49-57-50(36-29-39(54(7,8)9)33-40(30-36)55(10,11)12)59-51(58-49)44-31-34(25-26-45(44)56)41-19-13-16-22-46(41)60-47-23-17-14-20-42(47)43-21-15-18-24-48(43)60;1-34(2,3)24-15-22(16-25(19-24)35(4,5)6)31-40-32(42-33(41-31)29-21-28(38)13-14-30(29)39)23-17-26(36(7,8)9)20-27(18-23)37(10,11)12;1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26/h13-33H,1-12H3;13-21H,1-12H3;5-16H,1-4H3
InChIKeyADPMXHDDPZJKCT-UHFFFAOYSA-N
XLogP30.90
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001748.60
LogP ≤ 530.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 155636561
9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(2-carbazol-9-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 155636691
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine
CID 138662805
9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-carbazol-9-ylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 155636551
9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole
CID 159436458
2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole
CID 158292157
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 167285139
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530
5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 159351884
5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155636719
4-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]-3-carbazol-9-ylphenyl]benzonitrile
CID 139495590

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 157081610) is 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc3F)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(Cl)ccc3F)n2)cc(C(C)(C)C)c1.CC1(C)OB(c2ccccc2-n2c3ccccc3c3ccccc32)OC1(C)C.
What is the InChIKey of 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is ADPMXHDDPZJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H57FN4.C37H45ClFN3.C24H24BNO2/c1-52(2,3)37-27-35(28-38(32-37)53(4,5)6)49-57-50(36-29-39(54(7,8)9)33-40(30-36)55(10,11)12)59-51(58-49)44-31-34(25-26-45(44)56)41-19-13-16-22-46(41)60-47-23-17-14-20-42(47)43-21-15-18-24-48(43)60;1-34(2,3)24-15-22(16-25(19-24)35(4,5)6)31-40-32(42-33(41-31)29-21-28(38)13-14-30(29)39)23-17-26(36(7,8)9)20-27(18-23)37(10,11)12;1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26/h13-33H,1-12H3;13-21H,1-12H3;5-16H,1-4H3.
What are the key properties of 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 1748.60 g/mol, XLogP of 30.90, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-fluorophenyl]phenyl]carbazole;2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 157081610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).