(Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one

C173H134N6O6 — CID 137457013

IUPAC(Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one
SMILESCC/C(O)=C/C(=O)C(C)Cc1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)c(-c6ccccc6-c6cc(-c7ccccc7CC(C)(C)C(=O)/C=C(\O)C(C)C)cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)c6)cn5)c4)cn3)cc2)cc(-c2ccccc2-c2cnc(-c3cccc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7CC(=O)/C=C(/C)O)cc(-c7ccccc7-c7ccc(-c8ccccc8)nc7)c6)cc5)nc4)c3)cc2-c2ccccc2)c1
InChIInChI=1S/C173H134N6O6/c1-8-143(181)102-171(184)113(4)88-126-46-18-21-53-145(126)134-92-138(99-141(95-134)156-64-32-34-66-158(156)162-110-178-168(103-160(162)115-40-12-9-13-41-115)128-51-38-49-124(90-128)131-81-84-166(175-107-131)122-77-71-118(72-78-122)149-57-24-28-60-152(149)137-93-135(146-54-22-19-47-127(146)101-144(182)89-114(5)180)94-140(98-137)155-63-31-27-59-151(155)133-83-86-165(177-109-133)120-44-16-11-17-45-120)153-61-29-25-58-150(153)119-73-79-123(80-74-119)167-85-82-132(108-176-167)125-50-39-52-129(91-125)169-104-161(116-42-14-10-15-43-116)163(111-179-169)159-67-35-33-65-157(159)142-97-136(147-55-23-20-48-130(147)106-173(6,7)172(185)105-170(183)112(2)3)96-139(100-142)154-62-30-26-56-148(154)117-69-75-121(76-70-117)164-68-36-37-87-174-164/h9-87,89-100,102-105,107-113,180-181,183H,8,88,101,106H2,1-7H3/b114-89-,143-102-,170-105-
InChIKeyWLXHDNYNGQCGOM-XPFXEVNPSA-N
MW2393.01 g/mol
LogP44.14
Rot. Bonds38

About (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one

(Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one (PubChem CID 137457013) has the molecular formula C173H134N6O6 and a molecular weight of 2393.01 g/mol. Its IUPAC name is (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one
PubChem CID137457013
Molecular FormulaC173H134N6O6
Molecular Weight2393.01 g/mol
Exact Mass2391.04
IUPAC Name(Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one
SMILESCC/C(O)=C/C(=O)C(C)Cc1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)c(-c6ccccc6-c6cc(-c7ccccc7CC(C)(C)C(=O)/C=C(\O)C(C)C)cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)c6)cn5)c4)cn3)cc2)cc(-c2ccccc2-c2cnc(-c3cccc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7CC(=O)/C=C(/C)O)cc(-c7ccccc7-c7ccc(-c8ccccc8)nc7)c6)cc5)nc4)c3)cc2-c2ccccc2)c1
InChIInChI=1S/C173H134N6O6/c1-8-143(181)102-171(184)113(4)88-126-46-18-21-53-145(126)134-92-138(99-141(95-134)156-64-32-34-66-158(156)162-110-178-168(103-160(162)115-40-12-9-13-41-115)128-51-38-49-124(90-128)131-81-84-166(175-107-131)122-77-71-118(72-78-122)149-57-24-28-60-152(149)137-93-135(146-54-22-19-47-127(146)101-144(182)89-114(5)180)94-140(98-137)155-63-31-27-59-151(155)133-83-86-165(177-109-133)120-44-16-11-17-45-120)153-61-29-25-58-150(153)119-73-79-123(80-74-119)167-85-82-132(108-176-167)125-50-39-52-129(91-125)169-104-161(116-42-14-10-15-43-116)163(111-179-169)159-67-35-33-65-157(159)142-97-136(147-55-23-20-48-130(147)106-173(6,7)172(185)105-170(183)112(2)3)96-139(100-142)154-62-30-26-56-148(154)117-69-75-121(76-70-117)164-68-36-37-87-174-164/h9-87,89-100,102-105,107-113,180-181,183H,8,88,101,106H2,1-7H3/b114-89-,143-102-,170-105-
InChIKeyWLXHDNYNGQCGOM-XPFXEVNPSA-N
XLogP44.14
TPSA189.24 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds38
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002393.01
LogP ≤ 544.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one?
The IUPAC name of (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one (CID 137457013) is (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one.
What is the SMILES notation for (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one?
The canonical SMILES for (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one is CC/C(O)=C/C(=O)C(C)Cc1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)c(-c6ccccc6-c6cc(-c7ccccc7CC(C)(C)C(=O)/C=C(\O)C(C)C)cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)c6)cn5)c4)cn3)cc2)cc(-c2ccccc2-c2cnc(-c3cccc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7CC(=O)/C=C(/C)O)cc(-c7ccccc7-c7ccc(-c8ccccc8)nc7)c6)cc5)nc4)c3)cc2-c2ccccc2)c1.
What is the InChIKey of (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one?
The InChIKey is WLXHDNYNGQCGOM-XPFXEVNPSA-N. The full InChI is InChI=1S/C173H134N6O6/c1-8-143(181)102-171(184)113(4)88-126-46-18-21-53-145(126)134-92-138(99-141(95-134)156-64-32-34-66-158(156)162-110-178-168(103-160(162)115-40-12-9-13-41-115)128-51-38-49-124(90-128)131-81-84-166(175-107-131)122-77-71-118(72-78-122)149-57-24-28-60-152(149)137-93-135(146-54-22-19-47-127(146)101-144(182)89-114(5)180)94-140(98-137)155-63-31-27-59-151(155)133-83-86-165(177-109-133)120-44-16-11-17-45-120)153-61-29-25-58-150(153)119-73-79-123(80-74-119)167-85-82-132(108-176-167)125-50-39-52-129(91-125)169-104-161(116-42-14-10-15-43-116)163(111-179-169)159-67-35-33-65-157(159)142-97-136(147-55-23-20-48-130(147)106-173(6,7)172(185)105-170(183)112(2)3)96-139(100-142)154-62-30-26-56-148(154)117-69-75-121(76-70-117)164-68-36-37-87-174-164/h9-87,89-100,102-105,107-113,180-181,183H,8,88,101,106H2,1-7H3/b114-89-,143-102-,170-105-.
What are the key properties of (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one?
(Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one has a molecular weight of 2393.01 g/mol, XLogP of 44.14, 38 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxy-1-[2-[3-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-5-hydroxy-2-methyl-3-oxohept-4-enyl]phenyl]-5-[2-[6-[3-[6-[4-[2-[3-[2-[(Z)-4-hydroxy-2-oxopent-3-enyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-4-phenyl-3-pyridinyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,2,6-trimethylhept-4-en-3-one is sourced from PubChem (CID 137457013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).