C384H260N36 — CID 161464909
2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 161464909) has the molecular formula C384H260N36 and a molecular weight of 5378.56 g/mol. Its IUPAC name is 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 161464909 |
| Molecular Formula | C384H260N36 |
| Molecular Weight | 5378.56 g/mol |
| Exact Mass | 5374.15 |
| IUPAC Name | 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2C(c2cc(-c3cccc(-c4ncnc(-c5ccccc5)n4)c3)cc(-c3cccc(-c4ncnc(-c5ccccc5)n4)c3)c2)(c2cc(-c3cccc(-c4ncnc(-c5ccccc5)n4)c3)cc(-c3cccc(-c4ncnc(-c5ccccc5)n4)c3)c2)c2ccccc21.CC1(C)c2ccccc2C(c2cc(-c3cccc(-c4ncncn4)c3)cc(-c3cccc(-c4ncncn4)c3)c2)(c2cc(-c3cccc(-c4ncncn4)c3)cc(-c3cccc(-c4ncncn4)c3)c2)c2ccccc21.CC1(C)c2ccccc2C(c2cc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)n3)cc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)n3)c2)(c2cc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)n3)cc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)n3)c2)c2ccccc21 |
| InChI | InChI=1S/C232H156N12.C88H60N12.C64H44N12/c1-231(2)215-111-51-53-113-217(215)232(218-114-54-52-112-216(218)231,213-149-209(227-237-219(177-103-55-95-169(115-177)201-131-185(153-63-19-3-20-64-153)123-186(132-201)154-65-21-4-22-66-154)233-220(238-227)178-104-56-96-170(116-178)202-133-187(155-67-23-5-24-68-155)124-188(134-202)156-69-25-6-26-70-156)147-210(150-213)228-239-221(179-105-57-97-171(117-179)203-135-189(157-71-27-7-28-72-157)125-190(136-203)158-73-29-8-30-74-158)234-222(240-228)180-106-58-98-172(118-180)204-137-191(159-75-31-9-32-76-159)126-192(138-204)160-77-33-10-34-78-160)214-151-211(229-241-223(181-107-59-99-173(119-181)205-139-193(161-79-35-11-36-80-161)127-194(140-205)162-81-37-12-38-82-162)235-224(242-229)182-108-60-100-174(120-182)206-141-195(163-83-39-13-40-84-163)128-196(142-206)164-85-41-14-42-86-164)148-212(152-214)230-243-225(183-109-61-101-175(121-183)207-143-197(165-87-43-15-44-88-165)129-198(144-207)166-89-45-16-46-90-166)236-226(244-230)184-110-62-102-176(122-184)208-145-199(167-91-47-17-48-92-167)130-200(146-208)168-93-49-18-50-94-168;1-87(2)75-39-15-17-41-77(75)88(78-42-18-16-40-76(78)87,73-49-69(61-31-19-35-65(43-61)83-93-53-89-79(97-83)57-23-7-3-8-24-57)47-70(50-73)62-32-20-36-66(44-62)84-94-54-90-80(98-84)58-25-9-4-10-26-58)74-51-71(63-33-21-37-67(45-63)85-95-55-91-81(99-85)59-27-11-5-12-28-59)48-72(52-74)64-34-22-38-68(46-64)86-96-56-92-82(100-86)60-29-13-6-14-30-60;1-63(2)55-19-3-5-21-57(55)64(58-22-6-4-20-56(58)63,53-29-49(41-11-7-15-45(23-41)59-69-33-65-34-70-59)27-50(30-53)42-12-8-16-46(24-42)60-71-35-66-36-72-60)54-31-51(43-13-9-17-47(25-43)61-73-37-67-38-74-61)28-52(32-54)44-14-10-18-48(26-44)62-75-39-68-40-76-62/h3-152H,1-2H3;3-56H,1-2H3;3-40H,1-2H3 |
| InChIKey | WCHISAMBDGLHJK-UHFFFAOYSA-N |
| XLogP | 91.70 |
| TPSA | 464.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 420 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5378.56 |
| LogP ≤ 5 | 91.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |