CID 154610613

C41H23N5OPt — CID 154610613

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1ccc(-c3ccccc3)cc21
InChIInChI=1S/C41H23N5O.Pt/c1-3-8-26(9-4-1)28-13-18-37-34(22-28)32-17-15-29(23-35(32)39-43-20-21-45(37)39)47-30-14-16-31-33-12-7-19-42-40(33)46-38(27-10-5-2-6-11-27)25-44-41(46)36(31)24-30;/h1-22,25H;/q-2;+2
InChIKeyVLPYPFXHHDGHLV-UHFFFAOYSA-N
MW796.75 g/mol
LogP9.71
Rot. Bonds4

About CID 154610613

CID 154610613 (PubChem CID 154610613) has the molecular formula C41H23N5OPt and a molecular weight of 796.75 g/mol.

Molecular Properties

Compound NameCID 154610613
PubChem CID154610613
Molecular FormulaC41H23N5OPt
Molecular Weight796.75 g/mol
Exact Mass796.16
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1ccc(-c3ccccc3)cc21
InChIInChI=1S/C41H23N5O.Pt/c1-3-8-26(9-4-1)28-13-18-37-34(22-28)32-17-15-29(23-35(32)39-43-20-21-45(37)39)47-30-14-16-31-33-12-7-19-42-40(33)46-38(27-10-5-2-6-11-27)25-44-41(46)36(31)24-30;/h1-22,25H;/q-2;+2
InChIKeyVLPYPFXHHDGHLV-UHFFFAOYSA-N
XLogP9.71
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.75
LogP ≤ 59.71
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

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 154610649
CID 154610649
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
CID 154610823
CID 154610823
CID 154610598
CID 154610598
CID 154610989
CID 154610989
CID 164704152
CID 164704152
CID 154610681
CID 154610681
CID 161357627
CID 161357627
CID 154611572
CID 154611572
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 164704097
CID 164704097

Frequently Asked Questions

What is the IUPAC name of CID 154610613?
The IUPAC name of CID 154610613 (CID 154610613) is not available.
What is the SMILES notation for CID 154610613?
The canonical SMILES for CID 154610613 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1ccc(-c3ccccc3)cc21.
What is the InChIKey of CID 154610613?
The InChIKey is VLPYPFXHHDGHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N5O.Pt/c1-3-8-26(9-4-1)28-13-18-37-34(22-28)32-17-15-29(23-35(32)39-43-20-21-45(37)39)47-30-14-16-31-33-12-7-19-42-40(33)46-38(27-10-5-2-6-11-27)25-44-41(46)36(31)24-30;/h1-22,25H;/q-2;+2.
What are the key properties of CID 154610613?
CID 154610613 has a molecular weight of 796.75 g/mol, XLogP of 9.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610613 is sourced from PubChem (CID 154610613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).