2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole

C211H164N22 — CID 58554891

About 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole

2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole (PubChem CID 58554891) has the molecular formula C211H164N22 and a molecular weight of 3007.79 g/mol. Its IUPAC name is 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

• Compound Name: 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole
• PubChem CID: 58554891
• Molecular Formula: C211H164N22
• Molecular Weight: 3007.79 g/mol
• Exact Mass: 3005.35
• IUPAC Name: 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole
• SMILES: Cc1ccc(CCc2ccc(C)cc2-c2nc(-c3ccccc3)c(-c3cc(-c4nc(-c5cc6ccc5CCc5ccc(cc5-c5ncc(-c7ccccc7)[nH]5)CCC6)[nH]c4-c4ccccc4)cc(-c4[nH]cnc4-c4ccccc4)c3-c3cccc(-c4c(-c5nc(-c6cc7ccc6CCc6ccc(cc6-c6nc(-c8ccccc8)c(-c8ccccc8)[nH]6)CCC7)[nH]c5-c5ccccc5)cc(-c5[nH]c(-c6cc7ccc6CCc6ccc(cc6-c6nc(-c8ccccc8)c(-c8ccccc8)[nH]6)CC7)nc5-c5ccccc5)cc4-c4[nH]c(-c5cc6ccc5CCc5ccc(cc5-c5nc(-c7ccccc7)c(-c7ccccc7)[nH]5)CC6)nc4-c4ccccc4)c3)[nH]2)c(-c2ncc[nH]2)c1
• InChI: InChI=1S/C211H164N22/c1-130-77-91-140(167(113-130)202-212-111-112-213-202)101-102-141-92-78-131(2)114-168(141)204-226-193(160-69-36-13-37-70-160)199(231-204)178-125-165(196-191(158-65-32-11-33-66-158)224-208(229-196)171-117-134-46-42-45-132-83-93-142(103-104-143(171)94-84-134)169(115-132)203-214-128-181(217-203)150-49-16-3-17-50-150)124-177(198-184(215-129-216-198)151-51-18-4-19-52-151)182(178)163-75-44-76-164(123-163)183-179(200-194(161-71-38-14-39-72-161)227-210(232-200)172-118-135-48-43-47-133-85-95-144(105-106-145(172)96-86-135)170(116-133)205-218-185(152-53-20-5-21-54-152)186(219-205)153-55-22-6-23-56-153)126-166(197-192(159-67-34-12-35-68-159)225-209(230-197)175-121-138-80-79-136-87-97-146(107-108-148(175)99-89-138)173(119-136)206-220-187(154-57-24-7-25-58-154)188(221-206)155-59-26-8-27-60-155)127-180(183)201-195(162-73-40-15-41-74-162)228-211(233-201)176-122-139-82-81-137-88-98-147(109-110-149(176)100-90-139)174(120-137)207-222-189(156-61-28-9-29-62-156)190(223-207)157-63-30-10-31-64-157/h3-41,44,49-78,83-100,111-129H,42-43,45-48,79-82,101-110H2,1-2H3,(H,212,213)(H,214,217)(H,215,216)(H,218,219)(H,220,221)(H,222,223)(H,224,229)(H,225,230)(H,226,231)(H,227,232)(H,228,233)
• InChIKey: RHEWONNMGSKWPX-UHFFFAOYSA-N
• XLogP: 50.04
• TPSA: 315.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 34
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3007.79
LogP ≤ 5	50.04
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole?

The IUPAC name of 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole (CID 58554891) is 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole.

What is the SMILES notation for 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole?

The canonical SMILES for 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole is Cc1ccc(CCc2ccc(C)cc2-c2nc(-c3ccccc3)c(-c3cc(-c4nc(-c5cc6ccc5CCc5ccc(cc5-c5ncc(-c7ccccc7)[nH]5)CCC6)[nH]c4-c4ccccc4)cc(-c4[nH]cnc4-c4ccccc4)c3-c3cccc(-c4c(-c5nc(-c6cc7ccc6CCc6ccc(cc6-c6nc(-c8ccccc8)c(-c8ccccc8)[nH]6)CCC7)[nH]c5-c5ccccc5)cc(-c5[nH]c(-c6cc7ccc6CCc6ccc(cc6-c6nc(-c8ccccc8)c(-c8ccccc8)[nH]6)CC7)nc5-c5ccccc5)cc4-c4[nH]c(-c5cc6ccc5CCc5ccc(cc5-c5nc(-c7ccccc7)c(-c7ccccc7)[nH]5)CC6)nc4-c4ccccc4)c3)[nH]2)c(-c2ncc[nH]2)c1.

What is the InChIKey of 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole?

The InChIKey is RHEWONNMGSKWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C211H164N22/c1-130-77-91-140(167(113-130)202-212-111-112-213-202)101-102-141-92-78-131(2)114-168(141)204-226-193(160-69-36-13-37-70-160)199(231-204)178-125-165(196-191(158-65-32-11-33-66-158)224-208(229-196)171-117-134-46-42-45-132-83-93-142(103-104-143(171)94-84-134)169(115-132)203-214-128-181(217-203)150-49-16-3-17-50-150)124-177(198-184(215-129-216-198)151-51-18-4-19-52-151)182(178)163-75-44-76-164(123-163)183-179(200-194(161-71-38-14-39-72-161)227-210(232-200)172-118-135-48-43-47-133-85-95-144(105-106-145(172)96-86-135)170(116-133)205-218-185(152-53-20-5-21-54-152)186(219-205)153-55-22-6-23-56-153)126-166(197-192(159-67-34-12-35-68-159)225-209(230-197)175-121-138-80-79-136-87-97-146(107-108-148(175)99-89-138)173(119-136)206-220-187(154-57-24-7-25-58-154)188(221-206)155-59-26-8-27-60-155)127-180(183)201-195(162-73-40-15-41-74-162)228-211(233-201)176-122-139-82-81-137-88-98-147(109-110-149(176)100-90-139)174(120-137)207-222-189(156-61-28-9-29-62-156)190(223-207)157-63-30-10-31-64-157/h3-41,44,49-78,83-100,111-129H,42-43,45-48,79-82,101-110H2,1-2H3,(H,212,213)(H,214,217)(H,215,216)(H,218,219)(H,220,221)(H,222,223)(H,224,229)(H,225,230)(H,226,231)(H,227,232)(H,228,233).

What are the key properties of 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole?

2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 3007.79 g/mol, XLogP of 50.04, 34 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 58554891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).