15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid

C81H144O13P4 — CID 158443588

IUPAC15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid
SMILESCCCCCCCCCCCCCC(O)(CCCCCCCCCCCCC)C(C)(C(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.OP(O)O.OP(O)O.OP(O)O.OP(O)O
InChIInChI=1S/C81H132O.4H3O3P/c1-6-10-14-18-22-26-30-34-38-42-58-70-79(74-62-50-46-51-63-74,71-59-43-39-35-31-27-23-19-15-11-7-2)78(5,81(75-64-52-47-53-65-75,76-66-54-48-55-67-76)77-68-56-49-57-69-77)80(82,72-60-44-40-36-32-28-24-20-16-12-8-3)73-61-45-41-37-33-29-25-21-17-13-9-4;4*1-4(2)3/h46-57,62-69,82H,6-45,58-61,70-73H2,1-5H3;4*1-3H
InChIKeyHDCPKHIOUBQLCB-UHFFFAOYSA-N
MW1449.93 g/mol
LogP23.26
Rot. Bonds55

About 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid

15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid (PubChem CID 158443588) has the molecular formula C81H144O13P4 and a molecular weight of 1449.93 g/mol. Its IUPAC name is 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid.

Molecular Properties

Compound Name15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid
PubChem CID158443588
Molecular FormulaC81H144O13P4
Molecular Weight1449.93 g/mol
Exact Mass1448.96
IUPAC Name15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid
SMILESCCCCCCCCCCCCCC(O)(CCCCCCCCCCCCC)C(C)(C(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.OP(O)O.OP(O)O.OP(O)O.OP(O)O
InChIInChI=1S/C81H132O.4H3O3P/c1-6-10-14-18-22-26-30-34-38-42-58-70-79(74-62-50-46-51-63-74,71-59-43-39-35-31-27-23-19-15-11-7-2)78(5,81(75-64-52-47-53-65-75,76-66-54-48-55-67-76)77-68-56-49-57-69-77)80(82,72-60-44-40-36-32-28-24-20-16-12-8-3)73-61-45-41-37-33-29-25-21-17-13-9-4;4*1-4(2)3/h46-57,62-69,82H,6-45,58-61,70-73H2,1-5H3;4*1-3H
InChIKeyHDCPKHIOUBQLCB-UHFFFAOYSA-N
XLogP23.26
TPSA262.99 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds55
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.93
LogP ≤ 523.26
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1-triphenyl-2-sulfanylheptan-2-ol
CID 129116461
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
8-benzylpentadecan-8-ol
CID 13016086
4-[2-[4-[3-(2-carboxyethyl)-2-methyl-3-phenylpentadecan-2-yl]phenyl]propan-2-yl]-4-phenylhexadecanoic acid
CID 126649811
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-phenyldecan-2-amine
CID 63408050
tert-butylbenzene;hexane
CID 175254424
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
2-methyl-2-phenyloctanenitrile
CID 161194132

Frequently Asked Questions

What is the IUPAC name of 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid?
The IUPAC name of 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid (CID 158443588) is 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid.
What is the SMILES notation for 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid?
The canonical SMILES for 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid is CCCCCCCCCCCCCC(O)(CCCCCCCCCCCCC)C(C)(C(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.OP(O)O.OP(O)O.OP(O)O.OP(O)O.
What is the InChIKey of 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid?
The InChIKey is HDCPKHIOUBQLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H132O.4H3O3P/c1-6-10-14-18-22-26-30-34-38-42-58-70-79(74-62-50-46-51-63-74,71-59-43-39-35-31-27-23-19-15-11-7-2)78(5,81(75-64-52-47-53-65-75,76-66-54-48-55-67-76)77-68-56-49-57-69-77)80(82,72-60-44-40-36-32-28-24-20-16-12-8-3)73-61-45-41-37-33-29-25-21-17-13-9-4;4*1-4(2)3/h46-57,62-69,82H,6-45,58-61,70-73H2,1-5H3;4*1-3H.
What are the key properties of 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid?
15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid has a molecular weight of 1449.93 g/mol, XLogP of 23.26, 55 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-16-phenyl-14,16-di(tridecyl)-15-tritylnonacosan-14-ol;phosphorous acid is sourced from PubChem (CID 158443588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).