CID 154610598

C40H22N6OPt — CID 154610598

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(-c4ccccc4)cc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1nccnc21
InChIInChI=1S/C40H22N6O.Pt/c1-3-7-25(8-4-1)27-11-14-31-30-15-12-28(22-33(30)39-44-24-36(46(39)35(31)21-27)26-9-5-2-6-10-26)47-29-13-16-32-34(23-29)38-43-19-20-45(38)40-37(32)41-17-18-42-40;/h1-21,24H;/q-2;+2
InChIKeyRLLFEJVFPZJJPF-UHFFFAOYSA-N
MW797.74 g/mol
LogP9.11
Rot. Bonds4

About CID 154610598

CID 154610598 (PubChem CID 154610598) has the molecular formula C40H22N6OPt and a molecular weight of 797.74 g/mol.

Molecular Properties

Compound NameCID 154610598
PubChem CID154610598
Molecular FormulaC40H22N6OPt
Molecular Weight797.74 g/mol
Exact Mass797.15
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(-c4ccccc4)cc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1nccnc21
InChIInChI=1S/C40H22N6O.Pt/c1-3-7-25(8-4-1)27-11-14-31-30-15-12-28(22-33(30)39-44-24-36(46(39)35(31)21-27)26-9-5-2-6-10-26)47-29-13-16-32-34(23-29)38-43-19-20-45(38)40-37(32)41-17-18-42-40;/h1-21,24H;/q-2;+2
InChIKeyRLLFEJVFPZJJPF-UHFFFAOYSA-N
XLogP9.11
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.74
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

CID 154610989
CID 154610989
CID 154610613
CID 154610613
CID 154610681
CID 154610681
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
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 154610823
CID 154610823
CID 154610649
CID 154610649
CID 164703846
CID 164703846
9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610461
CID 163899118
CID 163899118
CID 164704097
CID 164704097
CID 154611242
CID 154611242

Frequently Asked Questions

What is the IUPAC name of CID 154610598?
The IUPAC name of CID 154610598 (CID 154610598) is not available.
What is the SMILES notation for CID 154610598?
The canonical SMILES for CID 154610598 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(-c4ccccc4)cc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1nccnc21.
What is the InChIKey of CID 154610598?
The InChIKey is RLLFEJVFPZJJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N6O.Pt/c1-3-7-25(8-4-1)27-11-14-31-30-15-12-28(22-33(30)39-44-24-36(46(39)35(31)21-27)26-9-5-2-6-10-26)47-29-13-16-32-34(23-29)38-43-19-20-45(38)40-37(32)41-17-18-42-40;/h1-21,24H;/q-2;+2.
What are the key properties of CID 154610598?
CID 154610598 has a molecular weight of 797.74 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610598 is sourced from PubChem (CID 154610598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).