2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane

C95H78B2BrN9O4 — CID 157437080

IUPAC2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)OB(c2ccc3ccccc3c2B2OC(C)(C)C(C)(C)O2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C52H34N6.C22H30B2O4.C21H14BrN3/c1-5-16-38(17-6-1)47-53-48(39-18-7-2-8-19-39)56-51(55-47)42-29-25-36(26-30-42)45-34-33-35-15-13-14-24-44(35)46(45)37-27-31-43(32-28-37)52-57-49(40-20-9-3-10-21-40)54-50(58-52)41-22-11-4-12-23-41;1-19(2)20(3,4)26-23(25-19)17-14-13-15-11-9-10-12-16(15)18(17)24-27-21(5,6)22(7,8)28-24;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-34H;9-14H,1-8H3;1-14H
InChIKeyBRFRMFWYTAPPOR-UHFFFAOYSA-N
MW1511.26 g/mol
LogP21.62
Rot. Bonds13

About 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane

2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane (PubChem CID 157437080) has the molecular formula C95H78B2BrN9O4 and a molecular weight of 1511.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
PubChem CID157437080
Molecular FormulaC95H78B2BrN9O4
Molecular Weight1511.26 g/mol
Exact Mass1509.55
IUPAC Name2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)OB(c2ccc3ccccc3c2B2OC(C)(C)C(C)(C)O2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C52H34N6.C22H30B2O4.C21H14BrN3/c1-5-16-38(17-6-1)47-53-48(39-18-7-2-8-19-39)56-51(55-47)42-29-25-36(26-30-42)45-34-33-35-15-13-14-24-44(35)46(45)37-27-31-43(32-28-37)52-57-49(40-20-9-3-10-21-40)54-50(58-52)41-22-11-4-12-23-41;1-19(2)20(3,4)26-23(25-19)17-14-13-15-11-9-10-12-16(15)18(17)24-27-21(5,6)22(7,8)28-24;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-34H;9-14H,1-8H3;1-14H
InChIKeyBRFRMFWYTAPPOR-UHFFFAOYSA-N
XLogP21.62
TPSA152.93 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.26
LogP ≤ 521.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

2,4-Bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159992290
(7-Borono-9,9-difluorofluoren-2-yl)boronic acid;2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluorofluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157508253
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-Cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 162418341
2-[3,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 68081206
4,6-Diphenyl-2-[5-(9-phenanthryl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 88542342
2,4-Diphenyl-6-[12-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]chrysen-6-yl]-1,3,5-triazine
CID 123153381
2-[3-Phenanthren-9-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140266345
2,4-Diphenyl-6-[4-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 140793140
2,4-Diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine
CID 140796988
2-[3-Phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140797044

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane (CID 157437080) is 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane is Brc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)OB(c2ccc3ccccc3c2B2OC(C)(C)C(C)(C)O2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The InChIKey is BRFRMFWYTAPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6.C22H30B2O4.C21H14BrN3/c1-5-16-38(17-6-1)47-53-48(39-18-7-2-8-19-39)56-51(55-47)42-29-25-36(26-30-42)45-34-33-35-15-13-14-24-44(35)46(45)37-27-31-43(32-28-37)52-57-49(40-20-9-3-10-21-40)54-50(58-52)41-22-11-4-12-23-41;1-19(2)20(3,4)26-23(25-19)17-14-13-15-11-9-10-12-16(15)18(17)24-27-21(5,6)22(7,8)28-24;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-34H;9-14H,1-8H3;1-14H.
What are the key properties of 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane has a molecular weight of 1511.26 g/mol, XLogP of 21.62, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157437080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).