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

C206H134N12O — CID 88886351

About 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(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one (PubChem CID 88886351) has the molecular formula C206H134N12O and a molecular weight of 2793.42 g/mol. Its IUPAC name is 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 Name: 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: 88886351
• Molecular Formula: C206H134N12O
• Molecular Weight: 2793.42 g/mol
• Exact Mass: 2791.08
• IUPAC Name: 10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
• SMILES: 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
• InChI: InChI=1S/C206H134N12O/c219-193-189-97-49-51-99-191(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/h1-134H
• InChIKey: CMZXXYWTXPKGMO-UHFFFAOYSA-N
• XLogP: 51.70
• TPSA: 171.75 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 34
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2793.42
LogP ≤ 5	51.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 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(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one (CID 88886351) is 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(3,5-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(3,5-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.

What is the InChIKey of 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 CMZXXYWTXPKGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C206H134N12O/c219-193-189-97-49-51-99-191(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/h1-134H.

What are the key properties of 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(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one has a molecular weight of 2793.42 g/mol, XLogP of 51.70, 34 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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 88886351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).