CID 59645808

C33H32N4Pt — CID 59645808

IUPAC—
SMILESCc1cc2nn1C(C)(C)n1nc(cc1C)-c1[c-]c(cc(C(C)(C)C)c1)-c1cccc(c1)-c1[c-]c-2ccc1.[Pt+2]
InChIInChI=1S/C33H32N4.Pt/c1-21-14-30-26-13-9-11-24(17-26)23-10-8-12-25(16-23)27-18-28(20-29(19-27)32(3,4)5)31-15-22(2)37(35-31)33(6,7)36(21)34-30;/h8-16,19-20H,1-7H3;/q-2;+2
InChIKeyCCYWSSFNQQPZPI-UHFFFAOYSA-N
MW679.73 g/mol
LogP7.81
Rot. Bonds

About CID 59645808

CID 59645808 (PubChem CID 59645808) has the molecular formula C33H32N4Pt and a molecular weight of 679.73 g/mol.

Molecular Properties

Compound NameCID 59645808
PubChem CID59645808
Molecular FormulaC33H32N4Pt
Molecular Weight679.73 g/mol
Exact Mass679.23
IUPAC Name—
SMILESCc1cc2nn1C(C)(C)n1nc(cc1C)-c1[c-]c(cc(C(C)(C)C)c1)-c1cccc(c1)-c1[c-]c-2ccc1.[Pt+2]
InChIInChI=1S/C33H32N4.Pt/c1-21-14-30-26-13-9-11-24(17-26)23-10-8-12-25(16-23)27-18-28(20-29(19-27)32(3,4)5)31-15-22(2)37(35-31)33(6,7)36(21)34-30;/h8-16,19-20H,1-7H3;/q-2;+2
InChIKeyCCYWSSFNQQPZPI-UHFFFAOYSA-N
XLogP7.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.73
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59645808?
The IUPAC name of CID 59645808 (CID 59645808) is not available.
What is the SMILES notation for CID 59645808?
The canonical SMILES for CID 59645808 is Cc1cc2nn1C(C)(C)n1nc(cc1C)-c1[c-]c(cc(C(C)(C)C)c1)-c1cccc(c1)-c1[c-]c-2ccc1.[Pt+2].
What is the InChIKey of CID 59645808?
The InChIKey is CCYWSSFNQQPZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4.Pt/c1-21-14-30-26-13-9-11-24(17-26)23-10-8-12-25(16-23)27-18-28(20-29(19-27)32(3,4)5)31-15-22(2)37(35-31)33(6,7)36(21)34-30;/h8-16,19-20H,1-7H3;/q-2;+2.
What are the key properties of CID 59645808?
CID 59645808 has a molecular weight of 679.73 g/mol, XLogP of 7.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59645808 is sourced from PubChem (CID 59645808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).