1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene

C36H40N4Sn — CID 58250004

IUPAC1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene
SMILESCc1cccc(C)c1N1C=CN(c2c(C)cccc2C)[Sn]12N(c1c(C)cccc1C)C=CN2c1c(C)cccc1C
InChIInChI=1S/2C18H20N2.Sn/c2*1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;/h2*5-12H,1-4H3;/q2*-2;+4/b2*12-11-;
InChIKeyADWIBYHMPYDRMD-ZELJJWTBSA-N
MW647.46 g/mol
LogP8.89
Rot. Bonds4

About 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene

1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene (PubChem CID 58250004) has the molecular formula C36H40N4Sn and a molecular weight of 647.46 g/mol. Its IUPAC name is 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene.

Molecular Properties

Compound Name1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene
PubChem CID58250004
Molecular FormulaC36H40N4Sn
Molecular Weight647.46 g/mol
Exact Mass648.23
IUPAC Name1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene
SMILESCc1cccc(C)c1N1C=CN(c2c(C)cccc2C)[Sn]12N(c1c(C)cccc1C)C=CN2c1c(C)cccc1C
InChIInChI=1S/2C18H20N2.Sn/c2*1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;/h2*5-12H,1-4H3;/q2*-2;+4/b2*12-11-;
InChIKeyADWIBYHMPYDRMD-ZELJJWTBSA-N
XLogP8.89
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.46
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene?
The IUPAC name of 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene (CID 58250004) is 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene.
What is the SMILES notation for 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene?
The canonical SMILES for 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene is Cc1cccc(C)c1N1C=CN(c2c(C)cccc2C)[Sn]12N(c1c(C)cccc1C)C=CN2c1c(C)cccc1C.
What is the InChIKey of 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene?
The InChIKey is ADWIBYHMPYDRMD-ZELJJWTBSA-N. The full InChI is InChI=1S/2C18H20N2.Sn/c2*1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;/h2*5-12H,1-4H3;/q2*-2;+4/b2*12-11-;.
What are the key properties of 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene?
1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene has a molecular weight of 647.46 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene is sourced from PubChem (CID 58250004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).