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

C177H126N12O4 — CID 89129639

IUPAC2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESCC1(C)CC2(CC(C)(C)c3cc(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)c(ON4C=C(c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)C=CC4)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
InChIInChI=1S/C177H126N12O4/c1-175(2)114-177(166-100-169(191-173-63-60-149(111-187-173)125-35-14-47-137(83-125)161-92-154(130-40-7-28-118(76-130)142-52-19-67-180-104-142)87-155(93-161)131-41-8-29-119(77-131)143-53-20-68-181-105-143)168(98-164(166)175)190-172-62-59-148(110-186-172)124-34-13-46-136(82-124)160-90-152(128-38-5-26-116(74-128)140-50-17-65-178-102-140)86-153(91-160)129-39-6-27-117(75-129)141-51-18-66-179-103-141)115-176(3,4)165-99-170(192-174-64-61-150(112-188-174)126-36-15-48-138(84-126)162-94-156(132-42-9-30-120(78-132)144-54-21-69-182-106-144)88-157(95-162)133-43-10-31-121(79-133)145-55-22-70-183-107-145)171(101-167(165)177)193-189-73-25-58-151(113-189)127-37-16-49-139(85-127)163-96-158(134-44-11-32-122(80-134)146-56-23-71-184-108-146)89-159(97-163)135-45-12-33-123(81-135)147-57-24-72-185-109-147/h5-72,74-113H,73,114-115H2,1-4H3
InChIKeyMMEHFUODKZSBMJ-UHFFFAOYSA-N
MW2485.03 g/mol
LogP44.60
Rot. Bonds32

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

2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 89129639) has the molecular formula C177H126N12O4 and a molecular weight of 2485.03 g/mol. Its IUPAC name is 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID89129639
Molecular FormulaC177H126N12O4
Molecular Weight2485.03 g/mol
Exact Mass2483.00
IUPAC Name2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESCC1(C)CC2(CC(C)(C)c3cc(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)c(ON4C=C(c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)C=CC4)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
InChIInChI=1S/C177H126N12O4/c1-175(2)114-177(166-100-169(191-173-63-60-149(111-187-173)125-35-14-47-137(83-125)161-92-154(130-40-7-28-118(76-130)142-52-19-67-180-104-142)87-155(93-161)131-41-8-29-119(77-131)143-53-20-68-181-105-143)168(98-164(166)175)190-172-62-59-148(110-186-172)124-34-13-46-136(82-124)160-90-152(128-38-5-26-116(74-128)140-50-17-65-178-102-140)86-153(91-160)129-39-6-27-117(75-129)141-51-18-66-179-103-141)115-176(3,4)165-99-170(192-174-64-61-150(112-188-174)126-36-15-48-138(84-126)162-94-156(132-42-9-30-120(78-132)144-54-21-69-182-106-144)88-157(95-162)133-43-10-31-121(79-133)145-55-22-70-183-107-145)171(101-167(165)177)193-189-73-25-58-151(113-189)127-37-16-49-139(85-127)163-96-158(134-44-11-32-122(80-134)146-56-23-71-184-108-146)89-159(97-163)135-45-12-33-123(81-135)147-57-24-72-185-109-147/h5-72,74-113H,73,114-115H2,1-4H3
InChIKeyMMEHFUODKZSBMJ-UHFFFAOYSA-N
XLogP44.60
TPSA181.95 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.03
LogP ≤ 544.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 89129639) is 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is CC1(C)CC2(CC(C)(C)c3cc(Oc4ccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)cn4)c(ON4C=C(c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccnc8)c7)c6)c5)C=CC4)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.
What is the InChIKey of 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is MMEHFUODKZSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H126N12O4/c1-175(2)114-177(166-100-169(191-173-63-60-149(111-187-173)125-35-14-47-137(83-125)161-92-154(130-40-7-28-118(76-130)142-52-19-67-180-104-142)87-155(93-161)131-41-8-29-119(77-131)143-53-20-68-181-105-143)168(98-164(166)175)190-172-62-59-148(110-186-172)124-34-13-46-136(82-124)160-90-152(128-38-5-26-116(74-128)140-50-17-65-178-102-140)86-153(91-160)129-39-6-27-117(75-129)141-51-18-66-179-103-141)115-176(3,4)165-99-170(192-174-64-61-150(112-188-174)126-36-15-48-138(84-126)162-94-156(132-42-9-30-120(78-132)144-54-21-69-182-106-144)88-157(95-162)133-43-10-31-121(79-133)145-55-22-70-183-107-145)171(101-167(165)177)193-189-73-25-58-151(113-189)127-37-16-49-139(85-127)163-96-158(134-44-11-32-122(80-134)146-56-23-71-184-108-146)89-159(97-163)135-45-12-33-123(81-135)147-57-24-72-185-109-147/h5-72,74-113H,73,114-115H2,1-4H3.
What are the key properties of 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 2485.03 g/mol, XLogP of 44.60, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6'-bis[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]-6-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2H-pyridin-1-yl]oxy]-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5'-yl]oxy]-5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 89129639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).