2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole

C18H21ClN2Sn — CID 147973830

IUPAC2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole
SMILESCc1cccc(C)c1N1C=CN(c2c(C)cccc2C)[SnH]1Cl
InChIInChI=1S/C18H20N2.ClH.Sn.H/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;;;/h5-12H,1-4H3;1H;;/q-2;;+3;/p-1/b12-11-;;;
InChIKeyIRWOQDUIMXIWOM-XSMOKHOMSA-M
MW419.54 g/mol
LogP4.67
Rot. Bonds2

About 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole

2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole (PubChem CID 147973830) has the molecular formula C18H21ClN2Sn and a molecular weight of 419.54 g/mol. Its IUPAC name is 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole.

Molecular Properties

Compound Name2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole
PubChem CID147973830
Molecular FormulaC18H21ClN2Sn
Molecular Weight419.54 g/mol
Exact Mass420.04
IUPAC Name2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole
SMILESCc1cccc(C)c1N1C=CN(c2c(C)cccc2C)[SnH]1Cl
InChIInChI=1S/C18H20N2.ClH.Sn.H/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;;;/h5-12H,1-4H3;1H;;/q-2;;+3;/p-1/b12-11-;;;
InChIKeyIRWOQDUIMXIWOM-XSMOKHOMSA-M
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,6-dimethylphenyl)-2H-imidazole;silver
CID 175743302
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CID 58250004
2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole
CID 143992406
7,18-bis(2,6-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;ethane
CID 153390184
3,4-dibromo-1-(2-ethyl-6-methylphenyl)pyrrole-2,5-dione
CID 14349492
1,5,6,10-tetramethylphenazine
CID 20660475
2-(2,6-dimethylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione
CID 3944051
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
1-(2-chloro-6-methylphenyl)pyrrolidine-2,3-dione
CID 66251974
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione
CID 4898136
1-tert-butyl-7-methylindole-2,3-dione
CID 175712571

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole?
The IUPAC name of 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole (CID 147973830) is 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole.
What is the SMILES notation for 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole?
The canonical SMILES for 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole is Cc1cccc(C)c1N1C=CN(c2c(C)cccc2C)[SnH]1Cl.
What is the InChIKey of 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole?
The InChIKey is IRWOQDUIMXIWOM-XSMOKHOMSA-M. The full InChI is InChI=1S/C18H20N2.ClH.Sn.H/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;;;/h5-12H,1-4H3;1H;;/q-2;;+3;/p-1/b12-11-;;;.
What are the key properties of 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole?
2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole has a molecular weight of 419.54 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole is sourced from PubChem (CID 147973830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).