CID 153428825

C34H19N3OPt — CID 153428825

IUPAC—
SMILES[Pt+2].[c-]1c(-c2ccccn2)cc2ccccc2c1Oc1[c-]c2c(cc1)c1ccccc1n1c3ccccc3nc21
InChIInChI=1S/C34H19N3O.Pt/c1-2-10-25-22(9-1)19-23(29-12-7-8-18-35-29)20-33(25)38-24-16-17-26-27-11-3-5-14-31(27)37-32-15-6-4-13-30(32)36-34(37)28(26)21-24;/h1-19H;/q-2;+2
InChIKeyLNOOALVTTAGVMI-UHFFFAOYSA-N
MW680.62 g/mol
LogP8.40
Rot. Bonds3

About CID 153428825

CID 153428825 (PubChem CID 153428825) has the molecular formula C34H19N3OPt and a molecular weight of 680.62 g/mol.

Molecular Properties

Compound NameCID 153428825
PubChem CID153428825
Molecular FormulaC34H19N3OPt
Molecular Weight680.62 g/mol
Exact Mass680.12
IUPAC Name—
SMILES[Pt+2].[c-]1c(-c2ccccn2)cc2ccccc2c1Oc1[c-]c2c(cc1)c1ccccc1n1c3ccccc3nc21
InChIInChI=1S/C34H19N3O.Pt/c1-2-10-25-22(9-1)19-23(29-12-7-8-18-35-29)20-33(25)38-24-16-17-26-27-11-3-5-14-31(27)37-32-15-6-4-13-30(32)36-34(37)28(26)21-24;/h1-19H;/q-2;+2
InChIKeyLNOOALVTTAGVMI-UHFFFAOYSA-N
XLogP8.40
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.62
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156671121
5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)
CID 162503616
[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 165167769
9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
CID 168848702
platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene
CID 171436392
CID 58262072
CID 58262072
CID 58262079
CID 58262079
CID 58858956
CID 58858956
7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358252
CID 59358388
CID 59358388
10-carbazol-9-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358534
iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59359067

Frequently Asked Questions

What is the IUPAC name of CID 153428825?
The IUPAC name of CID 153428825 (CID 153428825) is not available.
What is the SMILES notation for CID 153428825?
The canonical SMILES for CID 153428825 is [Pt+2].[c-]1c(-c2ccccn2)cc2ccccc2c1Oc1[c-]c2c(cc1)c1ccccc1n1c3ccccc3nc21.
What is the InChIKey of CID 153428825?
The InChIKey is LNOOALVTTAGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3O.Pt/c1-2-10-25-22(9-1)19-23(29-12-7-8-18-35-29)20-33(25)38-24-16-17-26-27-11-3-5-14-31(27)37-32-15-6-4-13-30(32)36-34(37)28(26)21-24;/h1-19H;/q-2;+2.
What are the key properties of CID 153428825?
CID 153428825 has a molecular weight of 680.62 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153428825 is sourced from PubChem (CID 153428825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).