naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane

C34H34OSi — CID 139052262

IUPACnaphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane
SMILESCC(C)[Si](O[C@@H](C)c1ccc2ccc3cccc4ccc1c2c34)(c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C34H34OSi/c1-22(2)36(23(3)4,30-18-15-25-9-6-7-10-29(25)21-30)35-24(5)31-19-16-28-14-13-26-11-8-12-27-17-20-32(31)34(28)33(26)27/h6-24H,1-5H3/t24-/m0/s1
InChIKeyYTXKXURNJZJBCT-DEOSSOPVSA-N
MW486.73 g/mol
LogP9.49
Rot. Bonds6

About naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane

naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane (PubChem CID 139052262) has the molecular formula C34H34OSi and a molecular weight of 486.73 g/mol. Its IUPAC name is naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane.

Molecular Properties

Compound Namenaphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane
PubChem CID139052262
Molecular FormulaC34H34OSi
Molecular Weight486.73 g/mol
Exact Mass486.24
IUPAC Namenaphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane
SMILESCC(C)[Si](O[C@@H](C)c1ccc2ccc3cccc4ccc1c2c34)(c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C34H34OSi/c1-22(2)36(23(3)4,30-18-15-25-9-6-7-10-29(25)21-30)35-24(5)31-19-16-28-14-13-26-11-8-12-27-17-20-32(31)34(28)33(26)27/h6-24H,1-5H3/t24-/m0/s1
InChIKeyYTXKXURNJZJBCT-DEOSSOPVSA-N
XLogP9.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.73
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-Hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CID 97714
1-(1-Pyrenyl)ethanol
CID 119118
10-Hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CID 159823
1-(2-Pyrenyl)ethanol
CID 150738
7-Hydroxy-7,8-dihydrobenzo(a)pyrene, (+-)-
CID 56744
6-(Methoxymethyl)benzo(a)pyrene
CID 6453360
Di-(1-pyrenylmethyl)ether
CID 173315
Trimethyl-(2,2,2-trifluoro-1-naphthalen-2-ylethoxy)silane
CID 15488123
Bis[1-(naphthalen-2-yl)ethyl] ether
CID 12025675
[(E,1R,2R)-1-naphthalen-2-yl-2-[4,4,5,5-tetrakis(4-fluorophenyl)-1,3,2-dioxaborolan-2-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]-tri(propan-2-yl)silane
CID 134999710
Tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane
CID 135013139
[(1R,2R)-1-naphthalen-2-yl-2-[4,4,5,5-tetrakis(4-fluorophenyl)-1,3,2-dioxaborolan-2-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 135078736

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane?
The IUPAC name of naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane (CID 139052262) is naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane.
What is the SMILES notation for naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane?
The canonical SMILES for naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane is CC(C)[Si](O[C@@H](C)c1ccc2ccc3cccc4ccc1c2c34)(c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane?
The InChIKey is YTXKXURNJZJBCT-DEOSSOPVSA-N. The full InChI is InChI=1S/C34H34OSi/c1-22(2)36(23(3)4,30-18-15-25-9-6-7-10-29(25)21-30)35-24(5)31-19-16-28-14-13-26-11-8-12-27-17-20-32(31)34(28)33(26)27/h6-24H,1-5H3/t24-/m0/s1.
What are the key properties of naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane?
naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane has a molecular weight of 486.73 g/mol, XLogP of 9.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane is sourced from PubChem (CID 139052262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).