[3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate

C196H126N12O8 — CID 134313445

IUPAC[3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate
SMILESO=C(Oc1cc(OC(=O)c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(OC(=O)c6ccc(-c7ccccc7)nc6)cc(OC(=O)c6ccc(-c7cccc(-c8ccc(-c9ccc(-c%10ccccc%10-c%10cc(-c%11ccccc%11-c%11ccc(-c%12ccccn%12)cc%11)cc(-c%11ccccc%11-c%11ccc(-c%12cnc(-c%13ccc(-c%14ccccc%14-c%14cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15)cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15)c%14)cc%13)cn%12)cc%11)c%10)cc9)nc8)c7)nc6)c5)cn4)c3)nc2)c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C196H126N12O8/c209-193(149-90-97-184(203-121-149)133-34-4-1-5-35-133)213-161-112-159(113-162(116-161)214-194(210)150-91-98-185(204-122-150)134-36-6-2-7-37-134)179-58-24-16-50-171(179)147-88-95-188(201-119-147)144-42-33-43-145(105-144)189-96-89-148(120-202-189)172-51-17-25-59-180(172)160-114-163(215-195(211)151-92-99-186(205-123-151)135-38-8-3-9-39-135)117-164(115-160)216-196(212)152-93-100-190(206-124-152)143-41-32-40-142(104-143)146-87-94-187(200-118-146)139-81-69-130(70-82-139)168-47-13-21-55-176(168)156-107-155(175-54-20-12-46-167(175)129-67-79-138(80-68-129)183-62-28-31-103-199-183)110-158(111-156)178-57-23-15-49-170(178)132-73-85-141(86-74-132)192-126-207-191(125-208-192)140-83-71-131(72-84-140)169-48-14-22-56-177(169)157-108-153(173-52-18-10-44-165(173)127-63-75-136(76-64-127)181-60-26-29-101-197-181)106-154(109-157)174-53-19-11-45-166(174)128-65-77-137(78-66-128)182-61-27-30-102-198-182/h1-126H
InChIKeyMDLZUUCKFZRYLN-UHFFFAOYSA-N
MW2777.24 g/mol
LogP47.65
Rot. Bonds37

About [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate

[3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate (PubChem CID 134313445) has the molecular formula C196H126N12O8 and a molecular weight of 2777.24 g/mol. Its IUPAC name is [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name[3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate
PubChem CID134313445
Molecular FormulaC196H126N12O8
Molecular Weight2777.24 g/mol
Exact Mass2774.98
IUPAC Name[3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate
SMILESO=C(Oc1cc(OC(=O)c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(OC(=O)c6ccc(-c7ccccc7)nc6)cc(OC(=O)c6ccc(-c7cccc(-c8ccc(-c9ccc(-c%10ccccc%10-c%10cc(-c%11ccccc%11-c%11ccc(-c%12ccccn%12)cc%11)cc(-c%11ccccc%11-c%11ccc(-c%12cnc(-c%13ccc(-c%14ccccc%14-c%14cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15)cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15)c%14)cc%13)cn%12)cc%11)c%10)cc9)nc8)c7)nc6)c5)cn4)c3)nc2)c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C196H126N12O8/c209-193(149-90-97-184(203-121-149)133-34-4-1-5-35-133)213-161-112-159(113-162(116-161)214-194(210)150-91-98-185(204-122-150)134-36-6-2-7-37-134)179-58-24-16-50-171(179)147-88-95-188(201-119-147)144-42-33-43-145(105-144)189-96-89-148(120-202-189)172-51-17-25-59-180(172)160-114-163(215-195(211)151-92-99-186(205-123-151)135-38-8-3-9-39-135)117-164(115-160)216-196(212)152-93-100-190(206-124-152)143-41-32-40-142(104-143)146-87-94-187(200-118-146)139-81-69-130(70-82-139)168-47-13-21-55-176(168)156-107-155(175-54-20-12-46-167(175)129-67-79-138(80-68-129)183-62-28-31-103-199-183)110-158(111-156)178-57-23-15-49-170(178)132-73-85-141(86-74-132)192-126-207-191(125-208-192)140-83-71-131(72-84-140)169-48-14-22-56-177(169)157-108-153(173-52-18-10-44-165(173)127-63-75-136(76-64-127)181-60-26-29-101-197-181)106-154(109-157)174-53-19-11-45-166(174)128-65-77-137(78-66-128)182-61-27-30-102-198-182/h1-126H
InChIKeyMDLZUUCKFZRYLN-UHFFFAOYSA-N
XLogP47.65
TPSA259.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002777.24
LogP ≤ 547.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate 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 [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate?
The IUPAC name of [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate (CID 134313445) is [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate.
What is the SMILES notation for [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate?
The canonical SMILES for [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate is O=C(Oc1cc(OC(=O)c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(OC(=O)c6ccc(-c7ccccc7)nc6)cc(OC(=O)c6ccc(-c7cccc(-c8ccc(-c9ccc(-c%10ccccc%10-c%10cc(-c%11ccccc%11-c%11ccc(-c%12ccccn%12)cc%11)cc(-c%11ccccc%11-c%11ccc(-c%12cnc(-c%13ccc(-c%14ccccc%14-c%14cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15)cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15)c%14)cc%13)cn%12)cc%11)c%10)cc9)nc8)c7)nc6)c5)cn4)c3)nc2)c1)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate?
The InChIKey is MDLZUUCKFZRYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C196H126N12O8/c209-193(149-90-97-184(203-121-149)133-34-4-1-5-35-133)213-161-112-159(113-162(116-161)214-194(210)150-91-98-185(204-122-150)134-36-6-2-7-37-134)179-58-24-16-50-171(179)147-88-95-188(201-119-147)144-42-33-43-145(105-144)189-96-89-148(120-202-189)172-51-17-25-59-180(172)160-114-163(215-195(211)151-92-99-186(205-123-151)135-38-8-3-9-39-135)117-164(115-160)216-196(212)152-93-100-190(206-124-152)143-41-32-40-142(104-143)146-87-94-187(200-118-146)139-81-69-130(70-82-139)168-47-13-21-55-176(168)156-107-155(175-54-20-12-46-167(175)129-67-79-138(80-68-129)183-62-28-31-103-199-183)110-158(111-156)178-57-23-15-49-170(178)132-73-85-141(86-74-132)192-126-207-191(125-208-192)140-83-71-131(72-84-140)169-48-14-22-56-177(169)157-108-153(173-52-18-10-44-165(173)127-63-75-136(76-64-127)181-60-26-29-101-197-181)106-154(109-157)174-53-19-11-45-166(174)128-65-77-137(78-66-128)182-61-27-30-102-198-182/h1-126H.
What are the key properties of [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate?
[3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate has a molecular weight of 2777.24 g/mol, XLogP of 47.65, 37 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[6-[3-[5-[2-[3-[6-[3-[6-[4-[2-[3-[2-[4-[5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrazin-2-yl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxyphenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 134313445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).