27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)

C24H14N4O2Pt — CID 58568547

IUPAC27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)
SMILESO=c1[n-]c2ccccc2c2cccc(n2)c(=O)[n-]c2ccccc2c2cccc1n2.[Pt+2]
InChIInChI=1S/C24H16N4O2.Pt/c29-23-22-14-6-12-18(26-22)16-8-2-4-10-20(16)28-24(30)21-13-5-11-17(25-21)15-7-1-3-9-19(15)27-23;/h1-14H,(H2,25,26,27,28,29,30);/q;+2/p-2
InChIKeyXHOSKZSIWMWMGV-UHFFFAOYSA-L
MW585.48 g/mol
LogP3.41
Rot. Bonds

About 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)

27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) (PubChem CID 58568547) has the molecular formula C24H14N4O2Pt and a molecular weight of 585.48 g/mol. Its IUPAC name is 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+).

Molecular Properties

Compound Name27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)
PubChem CID58568547
Molecular FormulaC24H14N4O2Pt
Molecular Weight585.48 g/mol
Exact Mass585.08
IUPAC Name27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)
SMILESO=c1[n-]c2ccccc2c2cccc(n2)c(=O)[n-]c2ccccc2c2cccc1n2.[Pt+2]
InChIInChI=1S/C24H16N4O2.Pt/c29-23-22-14-6-12-18(26-22)16-8-2-4-10-20(16)28-24(30)21-13-5-11-17(25-21)15-7-1-3-9-19(15)27-23;/h1-14H,(H2,25,26,27,28,29,30);/q;+2/p-2
InChIKeyXHOSKZSIWMWMGV-UHFFFAOYSA-L
XLogP3.41
TPSA88.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) with MolForge

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Related Compounds

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[6-(2,3-Dihydroindole-1-carbonyl)pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanone
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Pyrazino(1,2-a;4,5-a')diindole-6,13-dione
CID 325616
10-[(4-Methylpiperazin-1-yl)methyl]-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
CID 24949242
2,3-Dihydroindol-1-yl(quinolin-2-yl)methanone
CID 2092892
2-Benzyl-9-phenyl-1,2-dihydro-pyrrolo[3,4-b]quinolin-3-one
CID 10959049
Cambridge id 7260341
CID 1291891
[6-(2-Methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 3696693
2'-Methyl-1-(quinoline-2-carbonyl)-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-B]indole]
CID 110197577
[6-(Carbazole-9-carbonyl)-2-pyridinyl]-carbazol-9-ylmethanone
CID 153529332
2-Cyclohexyl-9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H,2H,3H-pyrrolo[3,4-B]quinolin-3-one
CID 46338436
2-[(E)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]prop-2-enyl]-1H-pyrrolo[3,4-b]quinolin-3-one
CID 76309074

Frequently Asked Questions

What is the IUPAC name of 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)?
The IUPAC name of 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) (CID 58568547) is 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+).
What is the SMILES notation for 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)?
The canonical SMILES for 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) is O=c1[n-]c2ccccc2c2cccc(n2)c(=O)[n-]c2ccccc2c2cccc1n2.[Pt+2].
What is the InChIKey of 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)?
The InChIKey is XHOSKZSIWMWMGV-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H16N4O2.Pt/c29-23-22-14-6-12-18(26-22)16-8-2-4-10-20(16)28-24(30)21-13-5-11-17(25-21)15-7-1-3-9-19(15)27-23;/h1-14H,(H2,25,26,27,28,29,30);/q;+2/p-2.
What are the key properties of 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)?
27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) has a molecular weight of 585.48 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) is sourced from PubChem (CID 58568547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).