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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole

C122H129BClF3N8O2 — CID 158529715

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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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(c2ccc(F)c(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)OC1(C)C
InChIInChI=1S/C55H57FN4.C37H45ClFN3.C30H27BFNO2/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;1-29(2)30(3,4)35-31(34-29)20-17-18-25(32)24(19-20)23-13-7-10-16-28(23)33-26-14-8-5-11-21(26)22-12-6-9-15-27(22)33/h13-33H,1-12H3;13-21H,1-12H3;5-19H,1-4H3
InChIKeyHNFGEBNYSBDDNY-UHFFFAOYSA-N
MW1842.69 g/mol
LogP32.71
Rot. Bonds11

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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole (PubChem CID 158529715) has the molecular formula C122H129BClF3N8O2 and a molecular weight of 1842.69 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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
PubChem CID158529715
Molecular FormulaC122H129BClF3N8O2
Molecular Weight1842.69 g/mol
Exact Mass1841.00
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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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(c2ccc(F)c(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)OC1(C)C
InChIInChI=1S/C55H57FN4.C37H45ClFN3.C30H27BFNO2/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;1-29(2)30(3,4)35-31(34-29)20-17-18-25(32)24(19-20)23-13-7-10-16-28(23)33-26-14-8-5-11-21(26)22-12-6-9-15-27(22)33/h13-33H,1-12H3;13-21H,1-12H3;5-19H,1-4H3
InChIKeyHNFGEBNYSBDDNY-UHFFFAOYSA-N
XLogP32.71
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001842.69
LogP ≤ 532.71
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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

4-[4-[4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 162486287
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,6-N-bis(4-fluorophenyl)-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine
CID 164737693
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis(4-fluorophenyl)-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine
CID 164737698
9-[4-(5-Chloro-2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170111646
9-[4-(3-Chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 171562310
12-[4-[3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 174004940
9-[4-[2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 174100672
9-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 58340544
9-[4,6-Bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazin-2-yl]-3,6-ditert-butylcarbazole
CID 58518455
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-Carbazole
CID 89890862
9-(4-phenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazin-2-yl)-9H-carbazole
CID 131748811
9-[3-[4-[3-[3-[4-[4-(3-Chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole
CID 135143796

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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole (CID 158529715) 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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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(c2ccc(F)c(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
The InChIKey is HNFGEBNYSBDDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H57FN4.C37H45ClFN3.C30H27BFNO2/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;1-29(2)30(3,4)35-31(34-29)20-17-18-25(32)24(19-20)23-13-7-10-16-28(23)33-26-14-8-5-11-21(26)22-12-6-9-15-27(22)33/h13-33H,1-12H3;13-21H,1-12H3;5-19H,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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole has a molecular weight of 1842.69 g/mol, XLogP of 32.71, 11 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-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158529715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).