CID 153429014

C46H24N4O3Pt — CID 153429014

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c4c(ccc2n3-c2ccccn2)oc2ccccc24)ccc2c3c4c(ccc3n(-c3ccccn3)c12)oc1ccccc14
InChIInChI=1S/C46H24N4O3.Pt/c1-3-11-37-31(9-1)45-39(52-37)21-19-33-43(45)29-17-15-27(25-35(29)49(33)41-13-5-7-23-47-41)51-28-16-18-30-36(26-28)50(42-14-6-8-24-48-42)34-20-22-40-46(44(30)34)32-10-2-4-12-38(32)53-40;/h1-24H;/q-2;+2
InChIKeyNSYPOKXDNZPCFF-UHFFFAOYSA-N
MW875.80 g/mol
LogP11.86
Rot. Bonds4

About CID 153429014

CID 153429014 (PubChem CID 153429014) has the molecular formula C46H24N4O3Pt and a molecular weight of 875.80 g/mol.

Molecular Properties

Compound NameCID 153429014
PubChem CID153429014
Molecular FormulaC46H24N4O3Pt
Molecular Weight875.80 g/mol
Exact Mass875.15
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c4c(ccc2n3-c2ccccn2)oc2ccccc24)ccc2c3c4c(ccc3n(-c3ccccn3)c12)oc1ccccc14
InChIInChI=1S/C46H24N4O3.Pt/c1-3-11-37-31(9-1)45-39(52-37)21-19-33-43(45)29-17-15-27(25-35(29)49(33)41-13-5-7-23-47-41)51-28-16-18-30-36(26-28)50(42-14-6-8-24-48-42)34-20-22-40-46(44(30)34)32-10-2-4-12-38(32)53-40;/h1-24H;/q-2;+2
InChIKeyNSYPOKXDNZPCFF-UHFFFAOYSA-N
XLogP11.86
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.80
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 155649934
CID 155649934
10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)
CID 162461497
3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)
CID 162461468
10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
CID 140955412
CID 164734292
CID 164734292
palladium(2+);12-pyridin-2-yl-10-[[3-[2,4,6-tris(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzofuro[3,2-a]carbazol-11-ide
CID 162461489
2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 164761033
CID 163510232
CID 163510232
CID 155650074
CID 155650074
2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 164737867
2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 168798816
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698

Frequently Asked Questions

What is the IUPAC name of CID 153429014?
The IUPAC name of CID 153429014 (CID 153429014) is not available.
What is the SMILES notation for CID 153429014?
The canonical SMILES for CID 153429014 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c4c(ccc2n3-c2ccccn2)oc2ccccc24)ccc2c3c4c(ccc3n(-c3ccccn3)c12)oc1ccccc14.
What is the InChIKey of CID 153429014?
The InChIKey is NSYPOKXDNZPCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N4O3.Pt/c1-3-11-37-31(9-1)45-39(52-37)21-19-33-43(45)29-17-15-27(25-35(29)49(33)41-13-5-7-23-47-41)51-28-16-18-30-36(26-28)50(42-14-6-8-24-48-42)34-20-22-40-46(44(30)34)32-10-2-4-12-38(32)53-40;/h1-24H;/q-2;+2.
What are the key properties of CID 153429014?
CID 153429014 has a molecular weight of 875.80 g/mol, XLogP of 11.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153429014 is sourced from PubChem (CID 153429014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).