2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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

C104H78BClN6O2 — CID 157207133

IUPAC2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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
SMILESCC1(C)OB(c2cccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.c1ccc(C(=C(c2ccccc2)c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c2)c2ccccc2)cc1
InChIInChI=1S/C49H33N3.C32H31BO2.C23H14ClN3/c1-4-17-36(18-5-1)45(37-19-6-2-7-20-37)46(38-21-8-3-9-22-38)41-25-14-26-42(33-41)47-50-48(43-29-27-34-15-10-12-23-39(34)31-43)52-49(51-47)44-30-28-35-16-11-13-24-40(35)32-44;1-31(2)32(3,4)35-33(34-31)28-22-14-21-27(23-28)30(26-19-12-7-13-20-26)29(24-15-8-5-9-16-24)25-17-10-6-11-18-25;24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-33H;5-23H,1-4H3;1-14H
InChIKeyARMGHUAQWQTIPT-UHFFFAOYSA-N
MW1490.07 g/mol
LogP25.34
Rot. Bonds14

About 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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

2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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 (PubChem CID 157207133) has the molecular formula C104H78BClN6O2 and a molecular weight of 1490.07 g/mol. Its IUPAC name is 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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.

Molecular Properties

Compound Name2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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
PubChem CID157207133
Molecular FormulaC104H78BClN6O2
Molecular Weight1490.07 g/mol
Exact Mass1488.60
IUPAC Name2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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
SMILESCC1(C)OB(c2cccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.c1ccc(C(=C(c2ccccc2)c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c2)c2ccccc2)cc1
InChIInChI=1S/C49H33N3.C32H31BO2.C23H14ClN3/c1-4-17-36(18-5-1)45(37-19-6-2-7-20-37)46(38-21-8-3-9-22-38)41-25-14-26-42(33-41)47-50-48(43-29-27-34-15-10-12-23-39(34)31-43)52-49(51-47)44-30-28-35-16-11-13-24-40(35)32-44;1-31(2)32(3,4)35-33(34-31)28-22-14-21-27(23-28)30(26-19-12-7-13-20-26)29(24-15-8-5-9-16-24)25-17-10-6-11-18-25;24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-33H;5-23H,1-4H3;1-14H
InChIKeyARMGHUAQWQTIPT-UHFFFAOYSA-N
XLogP25.34
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001490.07
LogP ≤ 525.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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 with MolForge

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Related Compounds

2,4,6-Tris[4-(naphthalen-1-yl)phenyl]-1,3,5-triazine
CID 69407532
2,4-Bis(3-anthracen-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 101520682
2,4-Bis(3-anthracen-9-ylphenyl)-6-(4-anthracen-9-ylphenyl)-1,3,5-triazine
CID 101520684
2,4-Diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine
CID 118014055
2,4-Diphenyl-6-[4'-(2-triphenylenyl)[1,1'-biphenyl]-3-yl]-1,3,5-triazine
CID 118487435
2,4-Di(biphenyl-4-yl)-6-(3-(4,4,5,5-tetramethyl1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine
CID 123987767
2-Chloro-4,6-di(naphthalen-2-yl)-1,3,5-triazine
CID 59365884
2-[4-[2-[10-[2-[4-[4,6-Bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 88981031
2-[8-[4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-yl]-3,6-dicyclohexylpyren-1-yl]-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 90293295
2,4-Diphenyl-6-(3'-(triphenylen-2-yl)-[1,1'-biphenyl]-3-yl)-1,3,5-triazine
CID 117951567
2-(4-Fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 118075082
2-Phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 118075091

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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?
The IUPAC name of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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 157207133) is 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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.
What is the SMILES notation for 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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?
The canonical SMILES for 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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 is CC1(C)OB(c2cccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.c1ccc(C(=C(c2ccccc2)c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c2)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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?
The InChIKey is ARMGHUAQWQTIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3.C32H31BO2.C23H14ClN3/c1-4-17-36(18-5-1)45(37-19-6-2-7-20-37)46(38-21-8-3-9-22-38)41-25-14-26-42(33-41)47-50-48(43-29-27-34-15-10-12-23-39(34)31-43)52-49(51-47)44-30-28-35-16-11-13-24-40(35)32-44;1-31(2)32(3,4)35-33(34-31)28-22-14-21-27(23-28)30(26-19-12-7-13-20-26)29(24-15-8-5-9-16-24)25-17-10-6-11-18-25;24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-33H;5-23H,1-4H3;1-14H.
What are the key properties of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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?
2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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 has a molecular weight of 1490.07 g/mol, XLogP of 25.34, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-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 is sourced from PubChem (CID 157207133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).