10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one

C460H300N24O2 — CID 161397608

IUPAC10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
SMILESO=C1c2ccccc2C(c2cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c2)(c2cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c2)c2ccccc21.O=C1c2ccccc2C(c2cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)(c2cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)c2ccccc21
InChIInChI=1S/C254H166N12O.C206H134N12O/c267-241-237-121-49-51-123-239(237)254(240-124-52-50-122-238(240)241,235-163-231(191-105-61-117-203(133-191)250-259-242(195-109-53-97-183(125-195)223-145-207(167-65-17-1-18-66-167)137-208(146-223)168-67-19-2-20-68-168)255-243(260-250)196-110-54-98-184(126-196)224-147-209(169-69-21-3-22-70-169)138-210(148-224)170-71-23-4-24-72-170)161-232(164-235)192-106-62-118-204(134-192)251-261-244(197-111-55-99-185(127-197)225-149-211(171-73-25-5-26-74-171)139-212(150-225)172-75-27-6-28-76-172)256-245(262-251)198-112-56-100-186(128-198)226-151-213(173-77-29-7-30-78-173)140-214(152-226)174-79-31-8-32-80-174)236-165-233(193-107-63-119-205(135-193)252-263-246(199-113-57-101-187(129-199)227-153-215(175-81-33-9-34-82-175)141-216(154-227)176-83-35-10-36-84-176)257-247(264-252)200-114-58-102-188(130-200)228-155-217(177-85-37-11-38-86-177)142-218(156-228)178-87-39-12-40-88-178)162-234(166-236)194-108-64-120-206(136-194)253-265-248(201-115-59-103-189(131-201)229-157-219(179-89-41-13-42-90-179)143-220(158-229)180-91-43-14-44-92-180)258-249(266-253)202-116-60-104-190(132-202)230-159-221(181-93-45-15-46-94-181)144-222(160-230)182-95-47-16-48-96-182;219-193-189-97-49-51-99-191(189)206(192-100-52-50-98-190(192)193,187-131-175(151-89-53-93-155(101-151)194-207-198(179-115-159(135-57-17-1-18-58-135)105-160(116-179)136-59-19-2-20-60-136)215-199(208-194)180-117-161(137-61-21-3-22-62-137)106-162(118-180)138-63-23-4-24-64-138)113-176(132-187)152-90-54-94-156(102-152)195-209-200(181-119-163(139-65-25-5-26-66-139)107-164(120-181)140-67-27-6-28-68-140)216-201(210-195)182-121-165(141-69-29-7-30-70-141)108-166(122-182)142-71-31-8-32-72-142)188-133-177(153-91-55-95-157(103-153)196-211-202(183-123-167(143-73-33-9-34-74-143)109-168(124-183)144-75-35-10-36-76-144)217-203(212-196)184-125-169(145-77-37-11-38-78-145)110-170(126-184)146-79-39-12-40-80-146)114-178(134-188)154-92-56-96-158(104-154)197-213-204(185-127-171(147-81-41-13-42-82-147)111-172(128-185)148-83-43-14-44-84-148)218-205(214-197)186-129-173(149-85-45-15-46-86-149)112-174(130-186)150-87-47-16-48-88-150/h1-166H;1-134H
InChIKeyVTURCPOSQJQCJA-UHFFFAOYSA-N
MW6195.63 g/mol
LogP116.73
Rot. Bonds76

About 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one

10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one (PubChem CID 161397608) has the molecular formula C460H300N24O2 and a molecular weight of 6195.63 g/mol. Its IUPAC name is 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one.

Molecular Properties

Compound Name10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
PubChem CID161397608
Molecular FormulaC460H300N24O2
Molecular Weight6195.63 g/mol
Exact Mass6190.41
IUPAC Name10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
SMILESO=C1c2ccccc2C(c2cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c2)(c2cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c2)c2ccccc21.O=C1c2ccccc2C(c2cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)(c2cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)c2ccccc21
InChIInChI=1S/C254H166N12O.C206H134N12O/c267-241-237-121-49-51-123-239(237)254(240-124-52-50-122-238(240)241,235-163-231(191-105-61-117-203(133-191)250-259-242(195-109-53-97-183(125-195)223-145-207(167-65-17-1-18-66-167)137-208(146-223)168-67-19-2-20-68-168)255-243(260-250)196-110-54-98-184(126-196)224-147-209(169-69-21-3-22-70-169)138-210(148-224)170-71-23-4-24-72-170)161-232(164-235)192-106-62-118-204(134-192)251-261-244(197-111-55-99-185(127-197)225-149-211(171-73-25-5-26-74-171)139-212(150-225)172-75-27-6-28-76-172)256-245(262-251)198-112-56-100-186(128-198)226-151-213(173-77-29-7-30-78-173)140-214(152-226)174-79-31-8-32-80-174)236-165-233(193-107-63-119-205(135-193)252-263-246(199-113-57-101-187(129-199)227-153-215(175-81-33-9-34-82-175)141-216(154-227)176-83-35-10-36-84-176)257-247(264-252)200-114-58-102-188(130-200)228-155-217(177-85-37-11-38-86-177)142-218(156-228)178-87-39-12-40-88-178)162-234(166-236)194-108-64-120-206(136-194)253-265-248(201-115-59-103-189(131-201)229-157-219(179-89-41-13-42-90-179)143-220(158-229)180-91-43-14-44-92-180)258-249(266-253)202-116-60-104-190(132-202)230-159-221(181-93-45-15-46-94-181)144-222(160-230)182-95-47-16-48-96-182;219-193-189-97-49-51-99-191(189)206(192-100-52-50-98-190(192)193,187-131-175(151-89-53-93-155(101-151)194-207-198(179-115-159(135-57-17-1-18-58-135)105-160(116-179)136-59-19-2-20-60-136)215-199(208-194)180-117-161(137-61-21-3-22-62-137)106-162(118-180)138-63-23-4-24-64-138)113-176(132-187)152-90-54-94-156(102-152)195-209-200(181-119-163(139-65-25-5-26-66-139)107-164(120-181)140-67-27-6-28-68-140)216-201(210-195)182-121-165(141-69-29-7-30-70-141)108-166(122-182)142-71-31-8-32-72-142)188-133-177(153-91-55-95-157(103-153)196-211-202(183-123-167(143-73-33-9-34-74-143)109-168(124-183)144-75-35-10-36-76-144)217-203(212-196)184-125-169(145-77-37-11-38-78-145)110-170(126-184)146-79-39-12-40-80-146)114-178(134-188)154-92-56-96-158(104-154)197-213-204(185-127-171(147-81-41-13-42-82-147)111-172(128-185)148-83-43-14-44-84-148)218-205(214-197)186-129-173(149-85-45-15-46-86-149)112-174(130-186)150-87-47-16-48-88-150/h1-166H;1-134H
InChIKeyVTURCPOSQJQCJA-UHFFFAOYSA-N
XLogP116.73
TPSA343.50 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds76
Heavy Atoms486
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006195.63
LogP ≤ 5116.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one?
The IUPAC name of 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one (CID 161397608) is 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one.
What is the SMILES notation for 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one?
The canonical SMILES for 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one is O=C1c2ccccc2C(c2cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c2)(c2cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c2)c2ccccc21.O=C1c2ccccc2C(c2cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)(c2cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)c2ccccc21.
What is the InChIKey of 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one?
The InChIKey is VTURCPOSQJQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C254H166N12O.C206H134N12O/c267-241-237-121-49-51-123-239(237)254(240-124-52-50-122-238(240)241,235-163-231(191-105-61-117-203(133-191)250-259-242(195-109-53-97-183(125-195)223-145-207(167-65-17-1-18-66-167)137-208(146-223)168-67-19-2-20-68-168)255-243(260-250)196-110-54-98-184(126-196)224-147-209(169-69-21-3-22-70-169)138-210(148-224)170-71-23-4-24-72-170)161-232(164-235)192-106-62-118-204(134-192)251-261-244(197-111-55-99-185(127-197)225-149-211(171-73-25-5-26-74-171)139-212(150-225)172-75-27-6-28-76-172)256-245(262-251)198-112-56-100-186(128-198)226-151-213(173-77-29-7-30-78-173)140-214(152-226)174-79-31-8-32-80-174)236-165-233(193-107-63-119-205(135-193)252-263-246(199-113-57-101-187(129-199)227-153-215(175-81-33-9-34-82-175)141-216(154-227)176-83-35-10-36-84-176)257-247(264-252)200-114-58-102-188(130-200)228-155-217(177-85-37-11-38-86-177)142-218(156-228)178-87-39-12-40-88-178)162-234(166-236)194-108-64-120-206(136-194)253-265-248(201-115-59-103-189(131-201)229-157-219(179-89-41-13-42-90-179)143-220(158-229)180-91-43-14-44-92-180)258-249(266-253)202-116-60-104-190(132-202)230-159-221(181-93-45-15-46-94-181)144-222(160-230)182-95-47-16-48-96-182;219-193-189-97-49-51-99-191(189)206(192-100-52-50-98-190(192)193,187-131-175(151-89-53-93-155(101-151)194-207-198(179-115-159(135-57-17-1-18-58-135)105-160(116-179)136-59-19-2-20-60-136)215-199(208-194)180-117-161(137-61-21-3-22-62-137)106-162(118-180)138-63-23-4-24-64-138)113-176(132-187)152-90-54-94-156(102-152)195-209-200(181-119-163(139-65-25-5-26-66-139)107-164(120-181)140-67-27-6-28-68-140)216-201(210-195)182-121-165(141-69-29-7-30-70-141)108-166(122-182)142-71-31-8-32-72-142)188-133-177(153-91-55-95-157(103-153)196-211-202(183-123-167(143-73-33-9-34-74-143)109-168(124-183)144-75-35-10-36-76-144)217-203(212-196)184-125-169(145-77-37-11-38-78-145)110-170(126-184)146-79-39-12-40-80-146)114-178(134-188)154-92-56-96-158(104-154)197-213-204(185-127-171(147-81-41-13-42-82-147)111-172(128-185)148-83-43-14-44-84-148)218-205(214-197)186-129-173(149-85-45-15-46-86-149)112-174(130-186)150-87-47-16-48-88-150/h1-166H;1-134H.
What are the key properties of 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one?
10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one has a molecular weight of 6195.63 g/mol, XLogP of 116.73, 76 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one is sourced from PubChem (CID 161397608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).