[4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane

C110H199OP — CID 53474515

IUPAC[4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane
SMILESCC(COc1ccc(P(c2ccccc2)c2ccccc2)cc1)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C110H199OP/c1-84(62-111-85-57-59-88(60-58-85)112(86-53-49-47-50-54-86)87-55-51-48-52-56-87)61-90(5,6)64-92(9,10)66-94(13,14)68-96(17,18)70-98(21,22)72-100(25,26)74-102(29,30)76-104(33,34)78-106(37,38)80-108(41,42)82-110(45,46)83-109(43,44)81-107(39,40)79-105(35,36)77-103(31,32)75-101(27,28)73-99(23,24)71-97(19,20)69-95(15,16)67-93(11,12)65-91(7,8)63-89(2,3)4/h47-60,84H,61-83H2,1-46H3
InChIKeyKVNWLGXRPPHCMC-UHFFFAOYSA-N
MW1568.77 g/mol
LogP35.64
Rot. Bonds49

About [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane

[4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane (PubChem CID 53474515) has the molecular formula C110H199OP and a molecular weight of 1568.77 g/mol. Its IUPAC name is [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane
PubChem CID53474515
Molecular FormulaC110H199OP
Molecular Weight1568.77 g/mol
Exact Mass1567.53
IUPAC Name[4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane
SMILESCC(COc1ccc(P(c2ccccc2)c2ccccc2)cc1)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C110H199OP/c1-84(62-111-85-57-59-88(60-58-85)112(86-53-49-47-50-54-86)87-55-51-48-52-56-87)61-90(5,6)64-92(9,10)66-94(13,14)68-96(17,18)70-98(21,22)72-100(25,26)74-102(29,30)76-104(33,34)78-106(37,38)80-108(41,42)82-110(45,46)83-109(43,44)81-107(39,40)79-105(35,36)77-103(31,32)75-101(27,28)73-99(23,24)71-97(19,20)69-95(15,16)67-93(11,12)65-91(7,8)63-89(2,3)4/h47-60,84H,61-83H2,1-46H3
InChIKeyKVNWLGXRPPHCMC-UHFFFAOYSA-N
XLogP35.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds49
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001568.77
LogP ≤ 535.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane with MolForge

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Related Compounds

1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432
O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine
CID 59956887
2,2,4,4-tetramethylpentoxybenzene
CID 70425921
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
2,2-dimethylpropane;triphenylphosphane
CID 143924519
1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
3,3-dimethyl-1-phenoxybutan-2-ol;ethane
CID 162239037
diphenyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]phosphane
CID 15550976
palladium;ruthenium;triphenylphosphane
CID 174683160
ethane;triphenylphosphane
CID 90942156
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
triphenylphosphane
CID 139056248

Frequently Asked Questions

What is the IUPAC name of [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane?
The IUPAC name of [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane (CID 53474515) is [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane is CC(COc1ccc(P(c2ccccc2)c2ccccc2)cc1)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane?
The InChIKey is KVNWLGXRPPHCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H199OP/c1-84(62-111-85-57-59-88(60-58-85)112(86-53-49-47-50-54-86)87-55-51-48-52-56-87)61-90(5,6)64-92(9,10)66-94(13,14)68-96(17,18)70-98(21,22)72-100(25,26)74-102(29,30)76-104(33,34)78-106(37,38)80-108(41,42)82-110(45,46)83-109(43,44)81-107(39,40)79-105(35,36)77-103(31,32)75-101(27,28)73-99(23,24)71-97(19,20)69-95(15,16)67-93(11,12)65-91(7,8)63-89(2,3)4/h47-60,84H,61-83H2,1-46H3.
What are the key properties of [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane?
[4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane has a molecular weight of 1568.77 g/mol, XLogP of 35.64, 49 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane is sourced from PubChem (CID 53474515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).