2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine

C56H44BBr2ClN6O2 — CID 157466303

IUPAC2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12.CC1(C)OB(c2ccc(Br)c3ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C25H16BrN3.C16H18BBrO2.C15H10ClN3/c26-22-16-15-21(19-13-7-8-14-20(19)22)25-28-23(17-9-3-1-4-10-17)27-24(29-25)18-11-5-2-6-12-18;1-15(2)16(3,4)20-17(19-15)13-9-10-14(18)12-8-6-5-7-11(12)13;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-16H;5-10H,1-4H3;1-10H
InChIKeyBUNFPXQKPCENPD-UHFFFAOYSA-N
MW1039.08 g/mol
LogP14.55
Rot. Bonds6

About 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine

2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine (PubChem CID 157466303) has the molecular formula C56H44BBr2ClN6O2 and a molecular weight of 1039.08 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
PubChem CID157466303
Molecular FormulaC56H44BBr2ClN6O2
Molecular Weight1039.08 g/mol
Exact Mass1036.17
IUPAC Name2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12.CC1(C)OB(c2ccc(Br)c3ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C25H16BrN3.C16H18BBrO2.C15H10ClN3/c26-22-16-15-21(19-13-7-8-14-20(19)22)25-28-23(17-9-3-1-4-10-17)27-24(29-25)18-11-5-2-6-12-18;1-15(2)16(3,4)20-17(19-15)13-9-10-14(18)12-8-6-5-7-11(12)13;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-16H;5-10H,1-4H3;1-10H
InChIKeyBUNFPXQKPCENPD-UHFFFAOYSA-N
XLogP14.55
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.08
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 159391993
2-Bromo-9,9-difluorofluorene;2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 161209487
2-(12-Bromochrysen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 117944668
2-[3-[15-(3-Bromophenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,14,17-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8(24),9,11,13(18),14,16,19(23),20-dodecaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118065884
2-(2-Bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 121402385
2-[3-[3-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 123801624
2-(4-Bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 124082010
2-[4-(4-Bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 126681893
2-[4-[1-(2-Bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129227922
2-[4-[4-(4-Bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129227924
2-[4-[1-(2-Bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129227928
2-[4-[4-(4-Bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129227933

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine (CID 157466303) is 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine is Brc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12.CC1(C)OB(c2ccc(Br)c3ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BUNFPXQKPCENPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN3.C16H18BBrO2.C15H10ClN3/c26-22-16-15-21(19-13-7-8-14-20(19)22)25-28-23(17-9-3-1-4-10-17)27-24(29-25)18-11-5-2-6-12-18;1-15(2)16(3,4)20-17(19-15)13-9-10-14(18)12-8-6-5-7-11(12)13;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-16H;5-10H,1-4H3;1-10H.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine?
2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1039.08 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-bromonaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157466303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).