CID 170932385

C45H43N3O2Pt — CID 170932385

IUPAC—
SMILESCc1ccc2c(c1)C(C)(C)C[C@@H]1OC(c3[c-]c(Oc4[c-]c5c(cc4C)C(C)(C)c4cccc6c7c(C)ccnc7n-5c46)c(C)cc3C)=N[C@]21C.[Pt+2]
InChIInChI=1S/C45H43N3O2.Pt/c1-24-14-15-31-33(18-24)43(6,7)23-38-45(31,10)47-42(50-38)30-21-36(27(4)19-26(30)3)49-37-22-35-34(20-28(37)5)44(8,9)32-13-11-12-29-39-25(2)16-17-46-41(39)48(35)40(29)32;/h11-20,38H,23H2,1-10H3;/q-2;+2/t38-,45+;/m0./s1
InChIKeyZPMCVWDKTBCOLV-IJCFCCLISA-N
MW852.94 g/mol
LogP10.49
Rot. Bonds3

About CID 170932385

CID 170932385 (PubChem CID 170932385) has the molecular formula C45H43N3O2Pt and a molecular weight of 852.94 g/mol.

Molecular Properties

Compound NameCID 170932385
PubChem CID170932385
Molecular FormulaC45H43N3O2Pt
Molecular Weight852.94 g/mol
Exact Mass852.30
IUPAC Name—
SMILESCc1ccc2c(c1)C(C)(C)C[C@@H]1OC(c3[c-]c(Oc4[c-]c5c(cc4C)C(C)(C)c4cccc6c7c(C)ccnc7n-5c46)c(C)cc3C)=N[C@]21C.[Pt+2]
InChIInChI=1S/C45H43N3O2.Pt/c1-24-14-15-31-33(18-24)43(6,7)23-38-45(31,10)47-42(50-38)30-21-36(27(4)19-26(30)3)49-37-22-35-34(20-28(37)5)44(8,9)32-13-11-12-29-39-25(2)16-17-46-41(39)48(35)40(29)32;/h11-20,38H,23H2,1-10H3;/q-2;+2/t38-,45+;/m0./s1
InChIKeyZPMCVWDKTBCOLV-IJCFCCLISA-N
XLogP10.49
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.94
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 170932385?
The IUPAC name of CID 170932385 (CID 170932385) is not available.
What is the SMILES notation for CID 170932385?
The canonical SMILES for CID 170932385 is Cc1ccc2c(c1)C(C)(C)C[C@@H]1OC(c3[c-]c(Oc4[c-]c5c(cc4C)C(C)(C)c4cccc6c7c(C)ccnc7n-5c46)c(C)cc3C)=N[C@]21C.[Pt+2].
What is the InChIKey of CID 170932385?
The InChIKey is ZPMCVWDKTBCOLV-IJCFCCLISA-N. The full InChI is InChI=1S/C45H43N3O2.Pt/c1-24-14-15-31-33(18-24)43(6,7)23-38-45(31,10)47-42(50-38)30-21-36(27(4)19-26(30)3)49-37-22-35-34(20-28(37)5)44(8,9)32-13-11-12-29-39-25(2)16-17-46-41(39)48(35)40(29)32;/h11-20,38H,23H2,1-10H3;/q-2;+2/t38-,45+;/m0./s1.
What are the key properties of CID 170932385?
CID 170932385 has a molecular weight of 852.94 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170932385 is sourced from PubChem (CID 170932385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).