2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine

C148H110BCl4N9O2 — CID 159043907

IUPAC2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine
SMILESC.CC1(C)OB(c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)OC1(C)C.Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.Clc1nc(Cl)nc(Cl)n1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4)n3)c2)cc1
InChIInChI=1S/C69H47N3.C48H41BO2.C27H18ClN3.C3Cl3N3.CH4/c1-7-21-48(22-8-1)54-33-19-35-58(41-54)67-70-68(59-36-20-34-55(42-59)49-23-9-2-10-24-49)72-69(71-67)62-44-60(56-37-39-63(50-25-11-3-12-26-50)65(46-56)52-29-15-5-16-30-52)43-61(45-62)57-38-40-64(51-27-13-4-14-28-51)66(47-57)53-31-17-6-18-32-53;1-47(2)48(3,4)51-49(50-47)42-30-40(38-25-27-43(34-17-9-5-10-18-34)45(32-38)36-21-13-7-14-22-36)29-41(31-42)39-26-28-44(35-19-11-6-12-20-35)46(33-39)37-23-15-8-16-24-37;28-27-30-25(23-15-7-13-21(17-23)19-9-3-1-4-10-19)29-26(31-27)24-16-8-14-22(18-24)20-11-5-2-6-12-20;4-1-7-2(5)9-3(6)8-1;/h1-47H;5-33H,1-4H3;1-18H;;1H4
InChIKeyJWKLJHJDYWUJHL-UHFFFAOYSA-N
MW2199.19 g/mol
LogP39.86
Rot. Bonds22

About 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine

2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine (PubChem CID 159043907) has the molecular formula C148H110BCl4N9O2 and a molecular weight of 2199.19 g/mol. Its IUPAC name is 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine
PubChem CID159043907
Molecular FormulaC148H110BCl4N9O2
Molecular Weight2199.19 g/mol
Exact Mass2195.76
IUPAC Name2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine
SMILESC.CC1(C)OB(c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)OC1(C)C.Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.Clc1nc(Cl)nc(Cl)n1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4)n3)c2)cc1
InChIInChI=1S/C69H47N3.C48H41BO2.C27H18ClN3.C3Cl3N3.CH4/c1-7-21-48(22-8-1)54-33-19-35-58(41-54)67-70-68(59-36-20-34-55(42-59)49-23-9-2-10-24-49)72-69(71-67)62-44-60(56-37-39-63(50-25-11-3-12-26-50)65(46-56)52-29-15-5-16-30-52)43-61(45-62)57-38-40-64(51-27-13-4-14-28-51)66(47-57)53-31-17-6-18-32-53;1-47(2)48(3,4)51-49(50-47)42-30-40(38-25-27-43(34-17-9-5-10-18-34)45(32-38)36-21-13-7-14-22-36)29-41(31-42)39-26-28-44(35-19-11-6-12-20-35)46(33-39)37-23-15-8-16-24-37;28-27-30-25(23-15-7-13-21(17-23)19-9-3-1-4-10-19)29-26(31-27)24-16-8-14-22(18-24)20-11-5-2-6-12-20;4-1-7-2(5)9-3(6)8-1;/h1-47H;5-33H,1-4H3;1-18H;;1H4
InChIKeyJWKLJHJDYWUJHL-UHFFFAOYSA-N
XLogP39.86
TPSA134.47 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002199.19
LogP ≤ 539.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine with MolForge

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Related Compounds

2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 159359482
CID 158645827
CID 158645827
2-phenyl-4-(3-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140815451
2-phenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[4-(2,4,6-triphenylphenyl)phenyl]-1,3,5-triazine
CID 156903755
2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 158198185
2-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140796929
4-[6-[4-phenyl-6-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 168808429
2-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140863932
2-[3,5-bis(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123189589
2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 160563763
2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161330237
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine (CID 159043907) is 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine is C.CC1(C)OB(c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)OC1(C)C.Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.Clc1nc(Cl)nc(Cl)n1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4)n3)c2)cc1.
What is the InChIKey of 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is JWKLJHJDYWUJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3.C48H41BO2.C27H18ClN3.C3Cl3N3.CH4/c1-7-21-48(22-8-1)54-33-19-35-58(41-54)67-70-68(59-36-20-34-55(42-59)49-23-9-2-10-24-49)72-69(71-67)62-44-60(56-37-39-63(50-25-11-3-12-26-50)65(46-56)52-29-15-5-16-30-52)43-61(45-62)57-38-40-64(51-27-13-4-14-28-51)66(47-57)53-31-17-6-18-32-53;1-47(2)48(3,4)51-49(50-47)42-30-40(38-25-27-43(34-17-9-5-10-18-34)45(32-38)36-21-13-7-14-22-36)29-41(31-42)39-26-28-44(35-19-11-6-12-20-35)46(33-39)37-23-15-8-16-24-37;28-27-30-25(23-15-7-13-21(17-23)19-9-3-1-4-10-19)29-26(31-27)24-16-8-14-22(18-24)20-11-5-2-6-12-20;4-1-7-2(5)9-3(6)8-1;/h1-47H;5-33H,1-4H3;1-18H;;1H4.
What are the key properties of 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine?
2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 2199.19 g/mol, XLogP of 39.86, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 159043907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).