2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

C375H242N36O3 — CID 158954649

About 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 158954649) has the molecular formula C375H242N36O3 and a molecular weight of 5300.31 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]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 158954649
• Molecular Formula: C375H242N36O3
• Molecular Weight: 5300.31 g/mol
• Exact Mass: 5295.99
• IUPAC Name: 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1cc(-c2cc(-c3cccc(-c4ncncn4)c3)cc(C3(c4cc(-c5cccc(-c6ncncn6)c5)cc(-c5cccc(-c6ncncn6)c5)c4)c4ccccc4Oc4ccccc43)c2)cc(-c2ncncn2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cc(-c6nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)n6)cc(C6(c7cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)c7)c7ccccc7Oc7ccccc76)c5)n4)c3)c2)cc1.c1ccc(-c2ncnc(-c3cccc(-c4cc(-c5cccc(-c6ncnc(-c7ccccc7)n6)c5)cc(C5(c6cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)c6)c6ccccc6Oc6ccccc65)c4)c3)n2)cc1
• InChI: InChI=1S/C229H150N12O.C85H54N12O.C61H38N12O/c1-17-61-151(62-18-1)183-121-184(152-63-19-2-20-64-152)130-199(129-183)167-93-53-101-175(113-167)217-230-218(176-102-54-94-168(114-176)200-131-185(153-65-21-3-22-66-153)122-186(132-200)154-67-23-4-24-68-154)235-225(234-217)207-145-208(226-236-219(177-103-55-95-169(115-177)201-133-187(155-69-25-5-26-70-155)123-188(134-201)156-71-27-6-28-72-156)231-220(237-226)178-104-56-96-170(116-178)202-135-189(157-73-29-7-30-74-157)124-190(136-202)158-75-31-8-32-76-158)148-211(147-207)229(213-109-49-51-111-215(213)242-216-112-52-50-110-214(216)229)212-149-209(227-238-221(179-105-57-97-171(117-179)203-137-191(159-77-33-9-34-78-159)125-192(138-203)160-79-35-10-36-80-160)232-222(239-227)180-106-58-98-172(118-180)204-139-193(161-81-37-11-38-82-161)126-194(140-204)162-83-39-12-40-84-162)146-210(150-212)228-240-223(181-107-59-99-173(119-181)205-141-195(163-85-41-13-42-86-163)127-196(142-205)164-87-43-14-44-88-164)233-224(241-228)182-108-60-100-174(120-182)206-143-197(165-89-45-15-46-90-165)128-198(144-206)166-91-47-16-48-92-166;1-5-21-55(22-6-1)77-86-51-90-81(94-77)63-33-17-29-59(41-63)67-45-68(60-30-18-34-64(42-60)82-91-52-87-78(95-82)56-23-7-2-8-24-56)48-71(47-67)85(73-37-13-15-39-75(73)98-76-40-16-14-38-74(76)85)72-49-69(61-31-19-35-65(43-61)83-92-53-88-79(96-83)57-25-9-3-10-26-57)46-70(50-72)62-32-20-36-66(44-62)84-93-54-89-80(97-84)58-27-11-4-12-28-58;1-3-19-55-53(17-1)61(54-18-2-4-20-56(54)74-55,51-27-47(39-9-5-13-43(21-39)57-66-31-62-32-67-57)25-48(28-51)40-10-6-14-44(22-40)58-68-33-63-34-69-58)52-29-49(41-11-7-15-45(23-41)59-70-35-64-36-71-59)26-50(30-52)42-12-8-16-46(24-42)60-72-37-65-38-73-60/h1-150H;1-54H;1-38H
• InChIKey: JLVXXUKGZLSVRB-UHFFFAOYSA-N
• XLogP: 90.10
• TPSA: 491.73 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 62
• Heavy Atoms: 414
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5300.31
LogP ≤ 5	90.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (CID 158954649) is 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is c1cc(-c2cc(-c3cccc(-c4ncncn4)c3)cc(C3(c4cc(-c5cccc(-c6ncncn6)c5)cc(-c5cccc(-c6ncncn6)c5)c4)c4ccccc4Oc4ccccc43)c2)cc(-c2ncncn2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cc(-c6nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)n6)cc(C6(c7cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)c7)c7ccccc7Oc7ccccc76)c5)n4)c3)c2)cc1.c1ccc(-c2ncnc(-c3cccc(-c4cc(-c5cccc(-c6ncnc(-c7ccccc7)n6)c5)cc(C5(c6cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)c6)c6ccccc6Oc6ccccc65)c4)c3)n2)cc1.

What is the InChIKey of 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The InChIKey is JLVXXUKGZLSVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C229H150N12O.C85H54N12O.C61H38N12O/c1-17-61-151(62-18-1)183-121-184(152-63-19-2-20-64-152)130-199(129-183)167-93-53-101-175(113-167)217-230-218(176-102-54-94-168(114-176)200-131-185(153-65-21-3-22-66-153)122-186(132-200)154-67-23-4-24-68-154)235-225(234-217)207-145-208(226-236-219(177-103-55-95-169(115-177)201-133-187(155-69-25-5-26-70-155)123-188(134-201)156-71-27-6-28-72-156)231-220(237-226)178-104-56-96-170(116-178)202-135-189(157-73-29-7-30-74-157)124-190(136-202)158-75-31-8-32-76-158)148-211(147-207)229(213-109-49-51-111-215(213)242-216-112-52-50-110-214(216)229)212-149-209(227-238-221(179-105-57-97-171(117-179)203-137-191(159-77-33-9-34-78-159)125-192(138-203)160-79-35-10-36-80-160)232-222(239-227)180-106-58-98-172(118-180)204-139-193(161-81-37-11-38-82-161)126-194(140-204)162-83-39-12-40-84-162)146-210(150-212)228-240-223(181-107-59-99-173(119-181)205-141-195(163-85-41-13-42-86-163)127-196(142-205)164-87-43-14-44-88-164)233-224(241-228)182-108-60-100-174(120-182)206-143-197(165-89-45-15-46-90-165)128-198(144-206)166-91-47-16-48-92-166;1-5-21-55(22-6-1)77-86-51-90-81(94-77)63-33-17-29-59(41-63)67-45-68(60-30-18-34-64(42-60)82-91-52-87-78(95-82)56-23-7-2-8-24-56)48-71(47-67)85(73-37-13-15-39-75(73)98-76-40-16-14-38-74(76)85)72-49-69(61-31-19-35-65(43-61)83-92-53-88-79(96-83)57-25-9-3-10-26-57)46-70(50-72)62-32-20-36-66(44-62)84-93-54-89-80(97-84)58-27-11-4-12-28-58;1-3-19-55-53(17-1)61(54-18-2-4-20-56(54)74-55,51-27-47(39-9-5-13-43(21-39)57-66-31-62-32-67-57)25-48(28-51)40-10-6-14-44(22-40)58-68-33-63-34-69-58)52-29-49(41-11-7-15-45(23-41)59-70-35-64-36-71-59)26-50(30-52)42-12-8-16-46(24-42)60-72-37-65-38-73-60/h1-150H;1-54H;1-38H.

What are the key properties of 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 5300.31 g/mol, XLogP of 90.10, 62 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-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]xanthen-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]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 158954649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).