platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

C42H46N6Pt — CID 140813998

IUPACplatinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC(C)c1cccc2cnc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)cc12.CC(C)c1cccc2cnc(-c3[n-]nc4c3CCCC4)cc12.[Pt+2]
InChIInChI=1S/C23H26N3.C19H20N3.Pt/c1-13(2)15-8-6-7-14-12-24-18(11-16(14)15)20-19-17-9-10-23(5,22(17,3)4)21(19)26-25-20;1-12(2)14-8-5-6-13-11-20-18(10-16(13)14)19-15-7-3-4-9-17(15)21-22-19;/h6-8,11-13,17H,9-10H2,1-5H3;5-6,8,10-12H,3-4,7,9H2,1-2H3;/q2*-1;+2
InChIKeyVDAYDPGVGQTTBP-UHFFFAOYSA-N
MW829.95 g/mol
LogP9.81
Rot. Bonds4

About platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 140813998) has the molecular formula C42H46N6Pt and a molecular weight of 829.95 g/mol. Its IUPAC name is platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

Compound Nameplatinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
PubChem CID140813998
Molecular FormulaC42H46N6Pt
Molecular Weight829.95 g/mol
Exact Mass829.34
IUPAC Nameplatinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC(C)c1cccc2cnc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)cc12.CC(C)c1cccc2cnc(-c3[n-]nc4c3CCCC4)cc12.[Pt+2]
InChIInChI=1S/C23H26N3.C19H20N3.Pt/c1-13(2)15-8-6-7-14-12-24-18(11-16(14)15)20-19-17-9-10-23(5,22(17,3)4)21(19)26-25-20;1-12(2)14-8-5-6-13-11-20-18(10-16(13)14)19-15-7-3-4-9-17(15)21-22-19;/h6-8,11-13,17H,9-10H2,1-5H3;5-6,8,10-12H,3-4,7,9H2,1-2H3;/q2*-1;+2
InChIKeyVDAYDPGVGQTTBP-UHFFFAOYSA-N
XLogP9.81
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.95
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?
The IUPAC name of platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (CID 140813998) is platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.
What is the SMILES notation for platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?
The canonical SMILES for platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is CC(C)c1cccc2cnc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)cc12.CC(C)c1cccc2cnc(-c3[n-]nc4c3CCCC4)cc12.[Pt+2].
What is the InChIKey of platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?
The InChIKey is VDAYDPGVGQTTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N3.C19H20N3.Pt/c1-13(2)15-8-6-7-14-12-24-18(11-16(14)15)20-19-17-9-10-23(5,22(17,3)4)21(19)26-25-20;1-12(2)14-8-5-6-13-11-20-18(10-16(13)14)19-15-7-3-4-9-17(15)21-22-19;/h6-8,11-13,17H,9-10H2,1-5H3;5-6,8,10-12H,3-4,7,9H2,1-2H3;/q2*-1;+2.
What are the key properties of platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?
platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 829.95 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 140813998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).