[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;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

C265H184N16O8 — CID 160926416

IUPAC[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;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(COOc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1
InChIInChI=1S/C177H124N12O4.C88H60N4O4/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;93-88(95-86-34-8-27-73(53-86)61-15-2-21-67(41-61)80-47-82(69-23-4-17-63(43-69)76-30-10-36-89-55-76)51-83(48-80)70-24-5-18-64(44-70)77-31-11-37-90-56-77)75-29-1-14-60(40-75)59-94-96-87-35-9-28-74(54-87)62-16-3-22-68(42-62)81-49-84(71-25-6-19-65(45-71)78-32-12-38-91-57-78)52-85(50-81)72-26-7-20-66(46-72)79-33-13-39-92-58-79/h5-112H,113-114H2,1-4H3;1-58H,59H2
InChIKeySSRUZZGPVBZNLN-UHFFFAOYSA-N
MW3720.49 g/mol
LogP67.25
Rot. Bonds50

About [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;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

[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;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 160926416) has the molecular formula C265H184N16O8 and a molecular weight of 3720.49 g/mol. Its IUPAC name is [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;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 Name[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;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 CID160926416
Molecular FormulaC265H184N16O8
Molecular Weight3720.49 g/mol
Exact Mass3717.45
IUPAC Name[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;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(COOc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1
InChIInChI=1S/C177H124N12O4.C88H60N4O4/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;93-88(95-86-34-8-27-73(53-86)61-15-2-21-67(41-61)80-47-82(69-23-4-17-63(43-69)76-30-10-36-89-55-76)51-83(48-80)70-24-5-18-64(44-70)77-31-11-37-90-56-77)75-29-1-14-60(40-75)59-94-96-87-35-9-28-74(54-87)62-16-3-22-68(42-62)81-49-84(71-25-6-19-65(45-71)78-32-12-38-91-57-78)52-85(50-81)72-26-7-20-66(46-72)79-33-13-39-92-58-79/h5-112H,113-114H2,1-4H3;1-58H,59H2
InChIKeySSRUZZGPVBZNLN-UHFFFAOYSA-N
XLogP67.25
TPSA287.92 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds50
Heavy Atoms289
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003720.49
LogP ≤ 567.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [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;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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Frequently Asked Questions

What is the IUPAC name of [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;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 [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;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 160926416) is [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;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 [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;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 [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;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(COOc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1.
What is the InChIKey of [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;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 SSRUZZGPVBZNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H124N12O4.C88H60N4O4/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;93-88(95-86-34-8-27-73(53-86)61-15-2-21-67(41-61)80-47-82(69-23-4-17-63(43-69)76-30-10-36-89-55-76)51-83(48-80)70-24-5-18-64(44-70)77-31-11-37-90-56-77)75-29-1-14-60(40-75)59-94-96-87-35-9-28-74(54-87)62-16-3-22-68(42-62)81-49-84(71-25-6-19-65(45-71)78-32-12-38-91-57-78)52-85(50-81)72-26-7-20-66(46-72)79-33-13-39-92-58-79/h5-112H,113-114H2,1-4H3;1-58H,59H2.
What are the key properties of [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;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?
[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;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 3720.49 g/mol, XLogP of 67.25, 50 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [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;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 160926416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).