CID 153428992

C37H26N4OPt — CID 153428992

IUPAC—
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cccnc3n3c5ccccc5nc43)c3ccccc3c2)c1.[Pt+2]
InChIInChI=1S/C37H26N4O.Pt/c1-37(2,3)25-16-18-38-32(21-25)24-19-23-9-4-5-10-27(23)34(20-24)42-26-14-15-28-29-11-8-17-39-35(29)41-33-13-7-6-12-31(33)40-36(41)30(28)22-26;/h4-19,21H,1-3H3;/q-2;+2
InChIKeyNNQPITIYWLZCSX-UHFFFAOYSA-N
MW737.72 g/mol
LogP9.09
Rot. Bonds3

About CID 153428992

CID 153428992 (PubChem CID 153428992) has the molecular formula C37H26N4OPt and a molecular weight of 737.72 g/mol.

Molecular Properties

Compound NameCID 153428992
PubChem CID153428992
Molecular FormulaC37H26N4OPt
Molecular Weight737.72 g/mol
Exact Mass737.18
IUPAC Name—
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cccnc3n3c5ccccc5nc43)c3ccccc3c2)c1.[Pt+2]
InChIInChI=1S/C37H26N4O.Pt/c1-37(2,3)25-16-18-38-32(21-25)24-19-23-9-4-5-10-27(23)34(20-24)42-26-14-15-28-29-11-8-17-39-35(29)41-33-13-7-6-12-31(33)40-36(41)30(28)22-26;/h4-19,21H,1-3H3;/q-2;+2
InChIKeyNNQPITIYWLZCSX-UHFFFAOYSA-N
XLogP9.09
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.72
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 153428992?
The IUPAC name of CID 153428992 (CID 153428992) is not available.
What is the SMILES notation for CID 153428992?
The canonical SMILES for CID 153428992 is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cccnc3n3c5ccccc5nc43)c3ccccc3c2)c1.[Pt+2].
What is the InChIKey of CID 153428992?
The InChIKey is NNQPITIYWLZCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4O.Pt/c1-37(2,3)25-16-18-38-32(21-25)24-19-23-9-4-5-10-27(23)34(20-24)42-26-14-15-28-29-11-8-17-39-35(29)41-33-13-7-6-12-31(33)40-36(41)30(28)22-26;/h4-19,21H,1-3H3;/q-2;+2.
What are the key properties of CID 153428992?
CID 153428992 has a molecular weight of 737.72 g/mol, XLogP of 9.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153428992 is sourced from PubChem (CID 153428992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).