CID 154610386

C37H23N5OPt — CID 154610386

IUPAC—
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccncc4n4ccnc54)[c-]c3c3nccn3c2c1.[Pt+2]
InChIInChI=1S/C37H23N5O.Pt/c1-22-4-3-5-23(2)35(22)24-6-9-29-27-10-7-25(19-31(27)36-39-14-16-41(36)33(29)18-24)43-26-8-11-28-30-12-13-38-21-34(30)42-17-15-40-37(42)32(28)20-26;/h3-18,21H,1-2H3;/q-2;+2
InChIKeyJGFKZXBXBAEKQC-UHFFFAOYSA-N
MW748.70 g/mol
LogP8.66
Rot. Bonds3

About CID 154610386

CID 154610386 (PubChem CID 154610386) has the molecular formula C37H23N5OPt and a molecular weight of 748.70 g/mol.

Molecular Properties

Compound NameCID 154610386
PubChem CID154610386
Molecular FormulaC37H23N5OPt
Molecular Weight748.70 g/mol
Exact Mass748.16
IUPAC Name—
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccncc4n4ccnc54)[c-]c3c3nccn3c2c1.[Pt+2]
InChIInChI=1S/C37H23N5O.Pt/c1-22-4-3-5-23(2)35(22)24-6-9-29-27-10-7-25(19-31(27)36-39-14-16-41(36)33(29)18-24)43-26-8-11-28-30-12-13-38-21-34(30)42-17-15-40-37(42)32(28)20-26;/h3-18,21H,1-2H3;/q-2;+2
InChIKeyJGFKZXBXBAEKQC-UHFFFAOYSA-N
XLogP8.66
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.70
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611141
CID 154611572
CID 154611572
6-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611246
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
CID 154610823
CID 154610823
CID 154611242
CID 154611242
11-[[7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611480
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611497
CID 154610651
CID 154610651
11-[[5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611612
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608
6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611149

Frequently Asked Questions

What is the IUPAC name of CID 154610386?
The IUPAC name of CID 154610386 (CID 154610386) is not available.
What is the SMILES notation for CID 154610386?
The canonical SMILES for CID 154610386 is Cc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccncc4n4ccnc54)[c-]c3c3nccn3c2c1.[Pt+2].
What is the InChIKey of CID 154610386?
The InChIKey is JGFKZXBXBAEKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5O.Pt/c1-22-4-3-5-23(2)35(22)24-6-9-29-27-10-7-25(19-31(27)36-39-14-16-41(36)33(29)18-24)43-26-8-11-28-30-12-13-38-21-34(30)42-17-15-40-37(42)32(28)20-26;/h3-18,21H,1-2H3;/q-2;+2.
What are the key properties of CID 154610386?
CID 154610386 has a molecular weight of 748.70 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610386 is sourced from PubChem (CID 154610386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).