2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane

C118H98BClN6O2 — CID 157155435

IUPAC2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
SMILESC.C.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)c2ccccc21.Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C55H39N3.C34H33BO2.C27H18ClN3.2CH4/c1-54(2)47-24-11-13-26-49(47)55(50-27-14-12-25-48(50)54)45-23-10-9-22-43(45)44-35-42(32-33-46(44)55)53-57-51(39-30-28-38(29-31-39)36-16-5-3-6-17-36)56-52(58-53)41-21-15-20-40(34-41)37-18-7-4-8-19-37;1-31(2)27-15-9-11-17-29(27)34(30-18-12-10-16-28(30)31)25-14-8-7-13-23(25)24-21-22(19-20-26(24)34)35-36-32(3,4)33(5,6)37-35;28-27-30-25(22-16-14-21(15-17-22)19-8-3-1-4-9-19)29-26(31-27)24-13-7-12-23(18-24)20-10-5-2-6-11-20;;/h3-35H,1-2H3;7-21H,1-6H3;1-18H;2*1H4
InChIKeyALTCYMYPYBLWJS-UHFFFAOYSA-N
MW1678.39 g/mol
LogP28.66
Rot. Bonds10

About 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane

2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane (PubChem CID 157155435) has the molecular formula C118H98BClN6O2 and a molecular weight of 1678.39 g/mol. Its IUPAC name is 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane.

Molecular Properties

Compound Name2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
PubChem CID157155435
Molecular FormulaC118H98BClN6O2
Molecular Weight1678.39 g/mol
Exact Mass1676.75
IUPAC Name2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
SMILESC.C.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)c2ccccc21.Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C55H39N3.C34H33BO2.C27H18ClN3.2CH4/c1-54(2)47-24-11-13-26-49(47)55(50-27-14-12-25-48(50)54)45-23-10-9-22-43(45)44-35-42(32-33-46(44)55)53-57-51(39-30-28-38(29-31-39)36-16-5-3-6-17-36)56-52(58-53)41-21-15-20-40(34-41)37-18-7-4-8-19-37;1-31(2)27-15-9-11-17-29(27)34(30-18-12-10-16-28(30)31)25-14-8-7-13-23(25)24-21-22(19-20-26(24)34)35-36-32(3,4)33(5,6)37-35;28-27-30-25(22-16-14-21(15-17-22)19-8-3-1-4-9-19)29-26(31-27)24-13-7-12-23(18-24)20-10-5-2-6-11-20;;/h3-35H,1-2H3;7-21H,1-6H3;1-18H;2*1H4
InChIKeyALTCYMYPYBLWJS-UHFFFAOYSA-N
XLogP28.66
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001678.39
LogP ≤ 528.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane with MolForge

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Related Compounds

2-(9,9'-Spirobi[fluoren]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233367
2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
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-[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-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
(7-Borono-9,9-difluorofluoren-2-yl)boronic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 161851265
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?
The IUPAC name of 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane (CID 157155435) is 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane.
What is the SMILES notation for 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?
The canonical SMILES for 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane is C.C.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)c2ccccc21.Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?
The InChIKey is ALTCYMYPYBLWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3.C34H33BO2.C27H18ClN3.2CH4/c1-54(2)47-24-11-13-26-49(47)55(50-27-14-12-25-48(50)54)45-23-10-9-22-43(45)44-35-42(32-33-46(44)55)53-57-51(39-30-28-38(29-31-39)36-16-5-3-6-17-36)56-52(58-53)41-21-15-20-40(34-41)37-18-7-4-8-19-37;1-31(2)27-15-9-11-17-29(27)34(30-18-12-10-16-28(30)31)25-14-8-7-13-23(25)24-21-22(19-20-26(24)34)35-36-32(3,4)33(5,6)37-35;28-27-30-25(22-16-14-21(15-17-22)19-8-3-1-4-9-19)29-26(31-27)24-13-7-12-23(18-24)20-10-5-2-6-11-20;;/h3-35H,1-2H3;7-21H,1-6H3;1-18H;2*1H4.
What are the key properties of 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?
2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane has a molecular weight of 1678.39 g/mol, XLogP of 28.66, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane is sourced from PubChem (CID 157155435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).