7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum

C18H10N6O2Pt — CID 140764514

IUPAC7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum
SMILES[Pt].c1cc2nc(c1)-c1cccc(n1)Oc1ccnc(n1)-c1nccc(n1)O2
InChIInChI=1S/C18H10N6O2.Pt/c1-3-11-12-4-2-6-14(22-12)26-16-8-10-20-18(24-16)17-19-9-7-15(23-17)25-13(5-1)21-11;/h1-10H;
InChIKeyXNWYNJXYXYXURD-UHFFFAOYSA-N
MW537.40 g/mol
LogP3.29
Rot. Bonds

About 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum

7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum (PubChem CID 140764514) has the molecular formula C18H10N6O2Pt and a molecular weight of 537.40 g/mol. Its IUPAC name is 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum.

Molecular Properties

Compound Name7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum
PubChem CID140764514
Molecular FormulaC18H10N6O2Pt
Molecular Weight537.40 g/mol
Exact Mass537.05
IUPAC Name7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum
SMILES[Pt].c1cc2nc(c1)-c1cccc(n1)Oc1ccnc(n1)-c1nccc(n1)O2
InChIInChI=1S/C18H10N6O2.Pt/c1-3-11-12-4-2-6-14(22-12)26-16-8-10-20-18(24-16)17-19-9-7-15(23-17)25-13(5-1)21-11;/h1-10H;
InChIKeyXNWYNJXYXYXURD-UHFFFAOYSA-N
XLogP3.29
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum with MolForge

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Related Compounds

Bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate
CID 139136726
2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)
CID 58709033
2-(5-Methyl-1-pyridin-2-ylpyrazol-3-yl)oxy-6-pyridin-2-ylpyridine;platinum
CID 59661031
Iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine
CID 140597840
9-(3-Pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140950056
(N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)
CID 153419238
2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421420
2-[[6-(1-Methyl-5-phenylimidazol-2-yl)-2-pyridinyl]oxy]-6-(phenoxy)-4-phenylpyridine;platinum
CID 155790263
2-[4-[2-[3,5-Bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)
CID 156674078
5-[2-[3,5-Bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)
CID 156674124
2-[4-[2-[3,5-Bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[[6-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+)
CID 156674150
2-[4-[2-[3,5-Bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[[6-(4-phenylbenzene-6-id-1-yl)-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+)
CID 156674161

Frequently Asked Questions

What is the IUPAC name of 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum?
The IUPAC name of 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum (CID 140764514) is 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum.
What is the SMILES notation for 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum?
The canonical SMILES for 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum is [Pt].c1cc2nc(c1)-c1cccc(n1)Oc1ccnc(n1)-c1nccc(n1)O2.
What is the InChIKey of 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum?
The InChIKey is XNWYNJXYXYXURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N6O2.Pt/c1-3-11-12-4-2-6-14(22-12)26-16-8-10-20-18(24-16)17-19-9-7-15(23-17)25-13(5-1)21-11;/h1-10H;.
What are the key properties of 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum?
7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum has a molecular weight of 537.40 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum is sourced from PubChem (CID 140764514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).