4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)

C32H30N4O2Pt — CID 58568505

IUPAC4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)
SMILESCC(C)(C)c1ccc2[n-]c(=O)c3cccc(n3)c3cc(C(C)(C)C)ccc3[n-]c(=O)c3cccc(n3)c2c1.[Pt+2]
InChIInChI=1S/C32H32N4O2.Pt/c1-31(2,3)19-13-15-25-21(17-19)23-9-7-11-27(33-23)30(38)36-26-16-14-20(32(4,5)6)18-22(26)24-10-8-12-28(34-24)29(37)35-25;/h7-18H,1-6H3,(H2,33,34,35,36,37,38);/q;+2/p-2
InChIKeyTYTJZUICLBVKIX-UHFFFAOYSA-L
MW697.70 g/mol
LogP6.00
Rot. Bonds

About 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)

4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+) (PubChem CID 58568505) has the molecular formula C32H30N4O2Pt and a molecular weight of 697.70 g/mol. Its IUPAC name is 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+).

Molecular Properties

Compound Name4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)
PubChem CID58568505
Molecular FormulaC32H30N4O2Pt
Molecular Weight697.70 g/mol
Exact Mass697.20
IUPAC Name4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)
SMILESCC(C)(C)c1ccc2[n-]c(=O)c3cccc(n3)c3cc(C(C)(C)C)ccc3[n-]c(=O)c3cccc(n3)c2c1.[Pt+2]
InChIInChI=1S/C32H32N4O2.Pt/c1-31(2,3)19-13-15-25-21(17-19)23-9-7-11-27(33-23)30(38)36-26-16-14-20(32(4,5)6)18-22(26)24-10-8-12-28(34-24)29(37)35-25;/h7-18H,1-6H3,(H2,33,34,35,36,37,38);/q;+2/p-2
InChIKeyTYTJZUICLBVKIX-UHFFFAOYSA-L
XLogP6.00
TPSA88.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.70
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+) with MolForge

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Related Compounds

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CID 49798376
1-[4-[4-[4-[2-(1,2-Dimethylindol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798385
2-Cyclohexyl-9-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1H,2H,3H-pyrrolo[3,4-B]quinolin-3-one
CID 16026265
6-Fluoro-7-methyl-10-[(4-methylpiperazin-1-yl)methyl]-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one
CID 49863792
[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)
CID 58831105
[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2,2,2-trifluoroacetyl)azanide;platinum(2+)
CID 59399103
[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)
CID 59399395
[6-[2-[6-(2,4-Difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)
CID 59645762
4,11,11-Trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
CID 71474809
4,11,11-Trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
CID 71474810
14-(4-Tert-butylphenyl)-11,11-dimethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one
CID 102143729
11,11-Dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one
CID 102290784

Frequently Asked Questions

What is the IUPAC name of 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)?
The IUPAC name of 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+) (CID 58568505) is 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+).
What is the SMILES notation for 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)?
The canonical SMILES for 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+) is CC(C)(C)c1ccc2[n-]c(=O)c3cccc(n3)c3cc(C(C)(C)C)ccc3[n-]c(=O)c3cccc(n3)c2c1.[Pt+2].
What is the InChIKey of 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)?
The InChIKey is TYTJZUICLBVKIX-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H32N4O2.Pt/c1-31(2,3)19-13-15-25-21(17-19)23-9-7-11-27(33-23)30(38)36-26-16-14-20(32(4,5)6)18-22(26)24-10-8-12-28(34-24)29(37)35-25;/h7-18H,1-6H3,(H2,33,34,35,36,37,38);/q;+2/p-2.
What are the key properties of 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+)?
4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+) has a molecular weight of 697.70 g/mol, XLogP of 6.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,17-ditert-butyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2(7),3,5,10,12,14(28),15(20),16,18,23,25-dodecaene-9,22-dione;platinum(2+) is sourced from PubChem (CID 58568505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).