CID 154610649

C41H23N5OPt — CID 154610649

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1cccc(-c3ccccc3)c21
InChIInChI=1S/C41H23N5O.Pt/c1-3-9-26(10-4-1)30-13-7-15-36-38(30)32-19-17-29(24-35(32)39-43-21-22-45(36)39)47-28-16-18-31-33-14-8-20-42-40(33)46-37(27-11-5-2-6-12-27)25-44-41(46)34(31)23-28;/h1-22,25H;/q-2;+2
InChIKeyLXVJYUFFJIOENB-UHFFFAOYSA-N
MW796.75 g/mol
LogP9.71
Rot. Bonds4

About CID 154610649

CID 154610649 (PubChem CID 154610649) has the molecular formula C41H23N5OPt and a molecular weight of 796.75 g/mol.

Molecular Properties

Compound NameCID 154610649
PubChem CID154610649
Molecular FormulaC41H23N5OPt
Molecular Weight796.75 g/mol
Exact Mass796.16
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1cccc(-c3ccccc3)c21
InChIInChI=1S/C41H23N5O.Pt/c1-3-9-26(10-4-1)30-13-7-15-36-38(30)32-19-17-29(24-35(32)39-43-21-22-45(36)39)47-28-16-18-31-33-14-8-20-42-40(33)46-37(27-11-5-2-6-12-27)25-44-41(46)34(31)23-28;/h1-22,25H;/q-2;+2
InChIKeyLXVJYUFFJIOENB-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

CID 154610613
CID 154610613
CID 154610679
CID 154610679
CID 154610681
CID 154610681
CID 154610989
CID 154610989
CID 164704152
CID 164704152
CID 154610598
CID 154610598
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-2,3-diphenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 164703973
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 164703846
CID 164703846
8-(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 154610895
CID 163899118
CID 163899118
CID 164704097
CID 164704097

Frequently Asked Questions

What is the IUPAC name of CID 154610649?
The IUPAC name of CID 154610649 (CID 154610649) is not available.
What is the SMILES notation for CID 154610649?
The canonical SMILES for CID 154610649 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1cccc(-c3ccccc3)c21.
What is the InChIKey of CID 154610649?
The InChIKey is LXVJYUFFJIOENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N5O.Pt/c1-3-9-26(10-4-1)30-13-7-15-36-38(30)32-19-17-29(24-35(32)39-43-21-22-45(36)39)47-28-16-18-31-33-14-8-20-42-40(33)46-37(27-11-5-2-6-12-27)25-44-41(46)34(31)23-28;/h1-22,25H;/q-2;+2.
What are the key properties of CID 154610649?
CID 154610649 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 154610649 is sourced from PubChem (CID 154610649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).