[dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane

C76H106O17Si2 — CID 11593392

IUPAC[dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane
SMILESCCCCOc1cc2c3cc(OC)c(OCCC[Si](O)(O)O[Si](O)(O)CCCOc4cc5c(cc4OC)c4cc(OCCCC)c(OCCCC)cc4c4cc(OCCCC)c(OCCCC)cc54)cc3c3cc(OCCCC)c(OCCCC)cc3c2cc1OCCCC
InChIInChI=1S/C76H106O17Si2/c1-11-19-29-83-69-45-57-53-41-65(81-9)67(43-55(53)59-47-71(85-31-21-13-3)75(89-35-25-17-7)51-63(59)61(57)49-73(69)87-33-23-15-5)91-37-27-39-94(77,78)93-95(79,80)40-28-38-92-68-44-56-54(42-66(68)82-10)58-46-70(84-30-20-12-2)74(88-34-24-16-6)50-62(58)64-52-76(90-36-26-18-8)72(48-60(56)64)86-32-22-14-4/h41-52,77-80H,11-40H2,1-10H3
InChIKeySRHFWXHQXPEDOP-UHFFFAOYSA-N
MW1347.84 g/mol
LogP18.16
Rot. Bonds46

About [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane

[dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane (PubChem CID 11593392) has the molecular formula C76H106O17Si2 and a molecular weight of 1347.84 g/mol. Its IUPAC name is [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane.

Molecular Properties

Compound Name[dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane
PubChem CID11593392
Molecular FormulaC76H106O17Si2
Molecular Weight1347.84 g/mol
Exact Mass1346.70
IUPAC Name[dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane
SMILESCCCCOc1cc2c3cc(OC)c(OCCC[Si](O)(O)O[Si](O)(O)CCCOc4cc5c(cc4OC)c4cc(OCCCC)c(OCCCC)cc4c4cc(OCCCC)c(OCCCC)cc54)cc3c3cc(OCCCC)c(OCCCC)cc3c2cc1OCCCC
InChIInChI=1S/C76H106O17Si2/c1-11-19-29-83-69-45-57-53-41-65(81-9)67(43-55(53)59-47-71(85-31-21-13-3)75(89-35-25-17-7)51-63(59)61(57)49-73(69)87-33-23-15-5)91-37-27-39-94(77,78)93-95(79,80)40-28-38-92-68-44-56-54(42-66(68)82-10)58-46-70(84-30-20-12-2)74(88-34-24-16-6)50-62(58)64-52-76(90-36-26-18-8)72(48-60(56)64)86-32-22-14-4/h41-52,77-80H,11-40H2,1-10H3
InChIKeySRHFWXHQXPEDOP-UHFFFAOYSA-N
XLogP18.16
TPSA200.91 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds46
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.84
LogP ≤ 518.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane with MolForge

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Related Compounds

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CID 10054806
2,3,6,7-tetrakis-decoxy-11,12-dimethoxybenzo[b]triphenylene
CID 122383547
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
2-dodecoxy-3,6,7,10,11-pentahexoxytriphenylene
CID 86225228
2,3,6,7,10-pentahexoxy-11-[7-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyheptoxy]triphenylene
CID 100981967
2,6,10-trimethoxy-3,7-dioctoxy-11-octyltriphenylene
CID 20661278
4-bromo-6-butoxy-7-methoxyquinazoline
CID 177191947
2,6,10-tripentoxy-3,7,11-tripropoxytriphenylene
CID 101030004
2,3,6,7,10-pentahexoxy-11-[3-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypropoxy]triphenylene
CID 100981965
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline
CID 130473194
8-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyoctan-1-ol
CID 141224322

Frequently Asked Questions

What is the IUPAC name of [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane?
The IUPAC name of [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane (CID 11593392) is [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane.
What is the SMILES notation for [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane?
The canonical SMILES for [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane is CCCCOc1cc2c3cc(OC)c(OCCC[Si](O)(O)O[Si](O)(O)CCCOc4cc5c(cc4OC)c4cc(OCCCC)c(OCCCC)cc4c4cc(OCCCC)c(OCCCC)cc54)cc3c3cc(OCCCC)c(OCCCC)cc3c2cc1OCCCC.
What is the InChIKey of [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane?
The InChIKey is SRHFWXHQXPEDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H106O17Si2/c1-11-19-29-83-69-45-57-53-41-65(81-9)67(43-55(53)59-47-71(85-31-21-13-3)75(89-35-25-17-7)51-63(59)61(57)49-73(69)87-33-23-15-5)91-37-27-39-94(77,78)93-95(79,80)40-28-38-92-68-44-56-54(42-66(68)82-10)58-46-70(84-30-20-12-2)74(88-34-24-16-6)50-62(58)64-52-76(90-36-26-18-8)72(48-60(56)64)86-32-22-14-4/h41-52,77-80H,11-40H2,1-10H3.
What are the key properties of [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane?
[dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane has a molecular weight of 1347.84 g/mol, XLogP of 18.16, 46 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane is sourced from PubChem (CID 11593392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).