19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene

C24H22Cl2N2O2Sn — CID 59380695

IUPAC19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene
SMILESCc1cc(C)c2c(c1)/C=N/c1ccccc1/N=C/c1cc(C)cc(C)c1O[Sn](Cl)(Cl)O2
InChIInChI=1S/C24H24N2O2.2ClH.Sn/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;;;/h5-14,27-28H,1-4H3;2*1H;/q;;;+4/p-4/b25-13+,26-14+;;;
InChIKeyOBHHIAPUEFWYHW-CWPMVNKHSA-J
MW560.07 g/mol
LogP7.11
Rot. Bonds

About 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene

19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene (PubChem CID 59380695) has the molecular formula C24H22Cl2N2O2Sn and a molecular weight of 560.07 g/mol. Its IUPAC name is 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene.

Molecular Properties

Compound Name19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene
PubChem CID59380695
Molecular FormulaC24H22Cl2N2O2Sn
Molecular Weight560.07 g/mol
Exact Mass560.01
IUPAC Name19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene
SMILESCc1cc(C)c2c(c1)/C=N/c1ccccc1/N=C/c1cc(C)cc(C)c1O[Sn](Cl)(Cl)O2
InChIInChI=1S/C24H24N2O2.2ClH.Sn/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;;;/h5-14,27-28H,1-4H3;2*1H;/q;;;+4/p-4/b25-13+,26-14+;;;
InChIKeyOBHHIAPUEFWYHW-CWPMVNKHSA-J
XLogP7.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.07
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene?
The IUPAC name of 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene (CID 59380695) is 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene.
What is the SMILES notation for 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene?
The canonical SMILES for 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene is Cc1cc(C)c2c(c1)/C=N/c1ccccc1/N=C/c1cc(C)cc(C)c1O[Sn](Cl)(Cl)O2.
What is the InChIKey of 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene?
The InChIKey is OBHHIAPUEFWYHW-CWPMVNKHSA-J. The full InChI is InChI=1S/C24H24N2O2.2ClH.Sn/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;;;/h5-14,27-28H,1-4H3;2*1H;/q;;;+4/p-4/b25-13+,26-14+;;;.
What are the key properties of 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene?
19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene has a molecular weight of 560.07 g/mol, XLogP of 7.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19,19-dichloro-14,16,22,24-tetramethyl-18,20-dioxa-3,10-diaza-19-stannatetracyclo[19.4.0.04,9.012,17]pentacosa-1(25),2,4,6,8,10,12,14,16,21,23-undecaene is sourced from PubChem (CID 59380695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).