1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine

C34H58N6O2Si2 — CID 139107973

IUPAC1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine
SMILESCN(C)[Si-]12(O[Si-]3(N(C)C)(O1)N(C(C)(C)C)C(c1ccccc1)=[N+]3C(C)(C)C)N(C(C)(C)C)C(c1ccccc1)=[N+]2C(C)(C)C
InChIInChI=1S/C34H58N6O2Si2/c1-31(2,3)37-29(27-23-19-17-20-24-27)38(32(4,5)6)43(37,35(13)14)41-44(42-43,36(15)16)39(33(7,8)9)30(40(44)34(10,11)12)28-25-21-18-22-26-28/h17-26H,1-16H3
InChIKeyWLROMPFZDGOGTB-UHFFFAOYSA-N
MW639.05 g/mol
LogP5.67
Rot. Bonds4

About 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine

1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine (PubChem CID 139107973) has the molecular formula C34H58N6O2Si2 and a molecular weight of 639.05 g/mol. Its IUPAC name is 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine.

Molecular Properties

Compound Name1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine
PubChem CID139107973
Molecular FormulaC34H58N6O2Si2
Molecular Weight639.05 g/mol
Exact Mass638.42
IUPAC Name1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine
SMILESCN(C)[Si-]12(O[Si-]3(N(C)C)(O1)N(C(C)(C)C)C(c1ccccc1)=[N+]3C(C)(C)C)N(C(C)(C)C)C(c1ccccc1)=[N+]2C(C)(C)C
InChIInChI=1S/C34H58N6O2Si2/c1-31(2,3)37-29(27-23-19-17-20-24-27)38(32(4,5)6)43(37,35(13)14)41-44(42-43,36(15)16)39(33(7,8)9)30(40(44)34(10,11)12)28-25-21-18-22-26-28/h17-26H,1-16H3
InChIKeyWLROMPFZDGOGTB-UHFFFAOYSA-N
XLogP5.67
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.05
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine?
The IUPAC name of 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine (CID 139107973) is 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine.
What is the SMILES notation for 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine?
The canonical SMILES for 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine is CN(C)[Si-]12(O[Si-]3(N(C)C)(O1)N(C(C)(C)C)C(c1ccccc1)=[N+]3C(C)(C)C)N(C(C)(C)C)C(c1ccccc1)=[N+]2C(C)(C)C.
What is the InChIKey of 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine?
The InChIKey is WLROMPFZDGOGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58N6O2Si2/c1-31(2,3)37-29(27-23-19-17-20-24-27)38(32(4,5)6)43(37,35(13)14)41-44(42-43,36(15)16)39(33(7,8)9)30(40(44)34(10,11)12)28-25-21-18-22-26-28/h17-26H,1-16H3.
What are the key properties of 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine?
1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine has a molecular weight of 639.05 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,9-tetratert-butyl-4-N,4-N,6-N,6-N-tetramethyl-2,8-diphenyl-5,10-dioxa-1,7-diaza-3,9-diazonia-4,6-disilanuidadispiro[3.1.36.14]deca-2,8-diene-4,6-diamine is sourced from PubChem (CID 139107973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).