trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane

C18H22N2O2Si — CID 174964795

IUPACtrimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
SMILESC[Si](C)(C)CCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C18H22N2O2Si/c1-23(2,3)12-6-11-19-17-8-5-4-7-15(17)16-13-14(20(21)22)9-10-18(16)19/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyZQVYPICABDVFTM-UHFFFAOYSA-N
MW326.47 g/mol
LogP5.43
Rot. Bonds5

About trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane

trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane (PubChem CID 174964795) has the molecular formula C18H22N2O2Si and a molecular weight of 326.47 g/mol. Its IUPAC name is trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
PubChem CID174964795
Molecular FormulaC18H22N2O2Si
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Nametrimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
SMILESC[Si](C)(C)CCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C18H22N2O2Si/c1-23(2,3)12-6-11-19-17-8-5-4-7-15(17)16-13-14(20(21)22)9-10-18(16)19/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyZQVYPICABDVFTM-UHFFFAOYSA-N
XLogP5.43
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
11-(3-nitrocarbazol-9-yl)undecanoic acid
CID 51056130
3,6-dinitro-9-(3-pyrrolidin-1-ylpropyl)carbazole
CID 45381225
ethane;3-nitro-9-[2-(oxan-2-yloxy)ethyl]carbazole
CID 145023696
3-nitro-9-(prop-2-enoxymethyl)carbazole
CID 12067576
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
9-benzyl-3,6-dinitrocarbazole
CID 5059102
trimethyl-[2-[(10-nitro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl]silane
CID 71497092
[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene
CID 86079697
3-iodo-6-nitro-9-tetradecylcarbazole
CID 71348476

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane?
The IUPAC name of trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane (CID 174964795) is trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane.
What is the SMILES notation for trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane?
The canonical SMILES for trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane is C[Si](C)(C)CCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane?
The InChIKey is ZQVYPICABDVFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2Si/c1-23(2,3)12-6-11-19-17-8-5-4-7-15(17)16-13-14(20(21)22)9-10-18(16)19/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane?
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane has a molecular weight of 326.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane is sourced from PubChem (CID 174964795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).