11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]

C34H22N2O4Sn — CID 59974411

IUPAC11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]
SMILESC1=N/c2ccccc2O[Sn]2(Oc3ccccc3/N=C/c3c(ccc4ccccc34)O2)Oc2ccc3ccccc3c2/1
InChIInChI=1S/2C17H13NO2.Sn/c2*19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;/h2*1-11,19-20H;/q;;+4/p-4/b2*18-11+;
InChIKeyAKJTYZXQFJLAMO-FZGQUPKHSA-J
MW641.27 g/mol
LogP8.17
Rot. Bonds

About 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]

11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene] (PubChem CID 59974411) has the molecular formula C34H22N2O4Sn and a molecular weight of 641.27 g/mol. Its IUPAC name is 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene].

Molecular Properties

Compound Name11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]
PubChem CID59974411
Molecular FormulaC34H22N2O4Sn
Molecular Weight641.27 g/mol
Exact Mass642.06
IUPAC Name11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]
SMILESC1=N/c2ccccc2O[Sn]2(Oc3ccccc3/N=C/c3c(ccc4ccccc34)O2)Oc2ccc3ccccc3c2/1
InChIInChI=1S/2C17H13NO2.Sn/c2*19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;/h2*1-11,19-20H;/q;;+4/p-4/b2*18-11+;
InChIKeyAKJTYZXQFJLAMO-FZGQUPKHSA-J
XLogP8.17
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.27
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]?
The IUPAC name of 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene] (CID 59974411) is 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene].
What is the SMILES notation for 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]?
The canonical SMILES for 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene] is C1=N/c2ccccc2O[Sn]2(Oc3ccccc3/N=C/c3c(ccc4ccccc34)O2)Oc2ccc3ccccc3c2/1.
What is the InChIKey of 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]?
The InChIKey is AKJTYZXQFJLAMO-FZGQUPKHSA-J. The full InChI is InChI=1S/2C17H13NO2.Sn/c2*19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;/h2*1-11,19-20H;/q;;+4/p-4/b2*18-11+;.
What are the key properties of 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene]?
11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene] has a molecular weight of 641.27 g/mol, XLogP of 8.17, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11'-spirobi[10,12-dioxa-3-aza-11-stannatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene] is sourced from PubChem (CID 59974411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).