2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane

C83H70BClN6O2 — CID 157088979

IUPAC2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C38H27N3.C23H14ClN3.C21H25BO2.CH4/c1-38(2)33-14-8-7-13-31(33)32-20-19-30(23-34(32)38)37-40-35(28-17-15-24-9-3-5-11-26(24)21-28)39-36(41-37)29-18-16-25-10-4-6-12-27(25)22-29;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;1-19(2)17-10-8-7-9-15(17)16-12-11-14(13-18(16)19)22-23-20(3,4)21(5,6)24-22;/h3-23H,1-2H3;1-14H;7-13H,1-6H3;1H4
InChIKeyAEKVJXONJNVGLZ-UHFFFAOYSA-N
MW1229.78 g/mol
LogP20.58
Rot. Bonds6

About 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane

2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane (PubChem CID 157088979) has the molecular formula C83H70BClN6O2 and a molecular weight of 1229.78 g/mol. Its IUPAC name is 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane.

Molecular Properties

Compound Name2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
PubChem CID157088979
Molecular FormulaC83H70BClN6O2
Molecular Weight1229.78 g/mol
Exact Mass1228.53
IUPAC Name2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C38H27N3.C23H14ClN3.C21H25BO2.CH4/c1-38(2)33-14-8-7-13-31(33)32-20-19-30(23-34(32)38)37-40-35(28-17-15-24-9-3-5-11-26(24)21-28)39-36(41-37)29-18-16-25-10-4-6-12-27(25)22-29;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;1-19(2)17-10-8-7-9-15(17)16-12-11-14(13-18(16)19)22-23-20(3,4)21(5,6)24-22;/h3-23H,1-2H3;1-14H;7-13H,1-6H3;1H4
InChIKeyAEKVJXONJNVGLZ-UHFFFAOYSA-N
XLogP20.58
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.78
LogP ≤ 520.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane with MolForge

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Related Compounds

2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2-[9-Fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145277074
2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145277077
2-[2-[6'-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 156564100
2-(9,9-Dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine
CID 156695700
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-(9,9-Dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine
CID 162486320
2-(9,9-Dimethylfluoren-2-yl)-4-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 162486341
2-[4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 162486346
2-[4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 162486355
2-(3-Fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine
CID 163556452
2-[2-[5'-(9,9-Dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 164818925

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?
The IUPAC name of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane (CID 157088979) is 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane.
What is the SMILES notation for 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?
The canonical SMILES for 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane is C.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?
The InChIKey is AEKVJXONJNVGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3.C23H14ClN3.C21H25BO2.CH4/c1-38(2)33-14-8-7-13-31(33)32-20-19-30(23-34(32)38)37-40-35(28-17-15-24-9-3-5-11-26(24)21-28)39-36(41-37)29-18-16-25-10-4-6-12-27(25)22-29;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;1-19(2)17-10-8-7-9-15(17)16-12-11-14(13-18(16)19)22-23-20(3,4)21(5,6)24-22;/h3-23H,1-2H3;1-14H;7-13H,1-6H3;1H4.
What are the key properties of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?
2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane has a molecular weight of 1229.78 g/mol, XLogP of 20.58, 6 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-(9,9-dimethylfluoren-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane is sourced from PubChem (CID 157088979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).