bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine

C265H182N16O8 — CID 159207112

IUPACbis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine
SMILESCC1(C)CC2(CC(C)(C)c3cc(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)c(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)cc32)c2cc(Oc3ccc(-c4cccc(-c5cc(-c6cccc(-c7cccnc7)c6)cc(-c6cccc(-c7cccnc7)c6)c5)c4)cn3)c(Oc3ccc(-c4cccc(-c5cc(-c6cccc(-c7cccnc7)c6)cc(-c6cccc(-c7cccnc7)c6)c5)c4)cn3)cc21.O=C(Oc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1)c1cccc(C(=O)Oc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1
InChIInChI=1S/C177H124N12O4.C88H58N4O4/c1-175(2)113-177(165-99-169(192-173-63-59-149(111-188-173)125-35-15-47-137(83-125)161-93-155(131-41-9-29-119(77-131)143-53-21-69-182-105-143)87-156(94-161)132-42-10-30-120(78-132)144-54-22-70-183-106-144)167(97-163(165)175)190-171-61-57-147(109-186-171)123-33-13-45-135(81-123)159-89-151(127-37-5-25-115(73-127)139-49-17-65-178-101-139)85-152(90-159)128-38-6-26-116(74-128)140-50-18-66-179-102-140)114-176(3,4)164-98-168(191-172-62-58-148(110-187-172)124-34-14-46-136(82-124)160-91-153(129-39-7-27-117(75-129)141-51-19-67-180-103-141)86-154(92-160)130-40-8-28-118(76-130)142-52-20-68-181-104-142)170(100-166(164)177)193-174-64-60-150(112-189-174)126-36-16-48-138(84-126)162-95-157(133-43-11-31-121(79-133)145-55-23-71-184-107-145)88-158(96-162)134-44-12-32-122(80-134)146-56-24-72-185-108-146;93-87(95-85-34-8-26-71(53-85)59-14-1-20-65(40-59)79-47-81(67-22-3-16-61(42-67)75-30-10-36-89-55-75)51-82(48-79)68-23-4-17-62(43-68)76-31-11-37-90-56-76)73-28-7-29-74(46-73)88(94)96-86-35-9-27-72(54-86)60-15-2-21-66(41-60)80-49-83(69-24-5-18-63(44-69)77-32-12-38-91-57-77)52-84(50-80)70-25-6-19-64(45-70)78-33-13-39-92-58-78/h5-112H,113-114H2,1-4H3;1-58H
InChIKeyKQAGFOXCOFGDMB-UHFFFAOYSA-N
MW3718.47 g/mol
LogP66.96
Rot. Bonds48

About bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine

bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine (PubChem CID 159207112) has the molecular formula C265H182N16O8 and a molecular weight of 3718.47 g/mol. Its IUPAC name is bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine.

Molecular Properties

Compound Namebis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine
PubChem CID159207112
Molecular FormulaC265H182N16O8
Molecular Weight3718.47 g/mol
Exact Mass3715.43
IUPAC Namebis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine
SMILESCC1(C)CC2(CC(C)(C)c3cc(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)c(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)cc32)c2cc(Oc3ccc(-c4cccc(-c5cc(-c6cccc(-c7cccnc7)c6)cc(-c6cccc(-c7cccnc7)c6)c5)c4)cn3)c(Oc3ccc(-c4cccc(-c5cc(-c6cccc(-c7cccnc7)c6)cc(-c6cccc(-c7cccnc7)c6)c5)c4)cn3)cc21.O=C(Oc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1)c1cccc(C(=O)Oc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1
InChIInChI=1S/C177H124N12O4.C88H58N4O4/c1-175(2)113-177(165-99-169(192-173-63-59-149(111-188-173)125-35-15-47-137(83-125)161-93-155(131-41-9-29-119(77-131)143-53-21-69-182-105-143)87-156(94-161)132-42-10-30-120(78-132)144-54-22-70-183-106-144)167(97-163(165)175)190-171-61-57-147(109-186-171)123-33-13-45-135(81-123)159-89-151(127-37-5-25-115(73-127)139-49-17-65-178-101-139)85-152(90-159)128-38-6-26-116(74-128)140-50-18-66-179-102-140)114-176(3,4)164-98-168(191-172-62-58-148(110-187-172)124-34-14-46-136(82-124)160-91-153(129-39-7-27-117(75-129)141-51-19-67-180-103-141)86-154(92-160)130-40-8-28-118(76-130)142-52-20-68-181-104-142)170(100-166(164)177)193-174-64-60-150(112-189-174)126-36-16-48-138(84-126)162-95-157(133-43-11-31-121(79-133)145-55-23-71-184-107-145)88-158(96-162)134-44-12-32-122(80-134)146-56-24-72-185-108-146;93-87(95-85-34-8-26-71(53-85)59-14-1-20-65(40-59)79-47-81(67-22-3-16-61(42-67)75-30-10-36-89-55-75)51-82(48-79)68-23-4-17-62(43-68)76-31-11-37-90-56-76)73-28-7-29-74(46-73)88(94)96-86-35-9-27-72(54-86)60-15-2-21-66(41-60)80-49-83(69-24-5-18-63(44-69)77-32-12-38-91-57-77)52-84(50-80)70-25-6-19-64(45-70)78-33-13-39-92-58-78/h5-112H,113-114H2,1-4H3;1-58H
InChIKeyKQAGFOXCOFGDMB-UHFFFAOYSA-N
XLogP66.96
TPSA295.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003718.47
LogP ≤ 566.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine with MolForge

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Related Compounds

2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine
CID 57968031
[6,13,20-Trimethoxy-12,19-bis[(3-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 3-pyridin-3-ylbenzoate
CID 25227394
4,4',4''-(10,15-dihydro-3,8,13-trimethoxy-5H-tribenzo[a,d,g]cyclononene-2,7,12-triyl) 4-pyridinecarboxylate
CID 91667633
((+/-)-2,7,12-trimethoxy-3,8,13-tris(4-(3-pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g)cyclononane) diethylether N-methylpyrrolidone clathrate
CID 139157334
[4-[1-[2-[4-[4-[(3,5-Dimethylbenzoyl)oxymethyl]phenyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]phenyl]methyl 3,5-dimethylbenzoate;4-[[15,30,31-tris(pyridin-4-ylmethoxymethyl)-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaen-14-yl]methoxymethyl]pyridine;ditetrafluoroborate
CID 139181656
Hexakis(isonicotinoyl)cyclotricatechylene dimethyl formamide clathrate
CID 139204846
2-(3-Cyclopentyloxy-4-methoxyphenyl)-5-pyridin-3-yl-2-(pyridin-4-ylmethyl)indene-1,3-dione
CID 54123236
5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]-6,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]pyridine
CID 57968007
Bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate
CID 57968026
5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine
CID 57968034
5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5'-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]-6,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine
CID 57968082
[3-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] 3-[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]peroxymethyl]benzoate
CID 57968084

Frequently Asked Questions

What is the IUPAC name of bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine?
The IUPAC name of bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine (CID 159207112) is bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine.
What is the SMILES notation for bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine?
The canonical SMILES for bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine is CC1(C)CC2(CC(C)(C)c3cc(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)c(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)cc32)c2cc(Oc3ccc(-c4cccc(-c5cc(-c6cccc(-c7cccnc7)c6)cc(-c6cccc(-c7cccnc7)c6)c5)c4)cn3)c(Oc3ccc(-c4cccc(-c5cc(-c6cccc(-c7cccnc7)c6)cc(-c6cccc(-c7cccnc7)c6)c5)c4)cn3)cc21.O=C(Oc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1)c1cccc(C(=O)Oc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1.
What is the InChIKey of bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine?
The InChIKey is KQAGFOXCOFGDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H124N12O4.C88H58N4O4/c1-175(2)113-177(165-99-169(192-173-63-59-149(111-188-173)125-35-15-47-137(83-125)161-93-155(131-41-9-29-119(77-131)143-53-21-69-182-105-143)87-156(94-161)132-42-10-30-120(78-132)144-54-22-70-183-106-144)167(97-163(165)175)190-171-61-57-147(109-186-171)123-33-13-45-135(81-123)159-89-151(127-37-5-25-115(73-127)139-49-17-65-178-101-139)85-152(90-159)128-38-6-26-116(74-128)140-50-18-66-179-102-140)114-176(3,4)164-98-168(191-172-62-58-148(110-187-172)124-34-14-46-136(82-124)160-91-153(129-39-7-27-117(75-129)141-51-19-67-180-103-141)86-154(92-160)130-40-8-28-118(76-130)142-52-20-68-181-104-142)170(100-166(164)177)193-174-64-60-150(112-189-174)126-36-16-48-138(84-126)162-95-157(133-43-11-31-121(79-133)145-55-23-71-184-107-145)88-158(96-162)134-44-12-32-122(80-134)146-56-24-72-185-108-146;93-87(95-85-34-8-26-71(53-85)59-14-1-20-65(40-59)79-47-81(67-22-3-16-61(42-67)75-30-10-36-89-55-75)51-82(48-79)68-23-4-17-62(43-68)76-31-11-37-90-56-76)73-28-7-29-74(46-73)88(94)96-86-35-9-27-72(54-86)60-15-2-21-66(41-60)80-49-83(69-24-5-18-63(44-69)77-32-12-38-91-57-77)52-84(50-80)70-25-6-19-64(45-70)78-33-13-39-92-58-78/h5-112H,113-114H2,1-4H3;1-58H.
What are the key properties of bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine?
bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine has a molecular weight of 3718.47 g/mol, XLogP of 66.96, 48 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl] benzene-1,3-dicarboxylate;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[[5',6,6'-tris[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]pyridine is sourced from PubChem (CID 159207112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).