CID 164704200

C41H24N4OPt — CID 164704200

IUPAC—
SMILESCc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n4c6ccccc6nc54)[c-]c3c2n1.[Pt+2]
InChIInChI=1S/C41H24N4O.Pt/c1-25-10-2-3-11-28(25)36-24-44-37-15-7-4-12-31(37)29-20-18-26(22-33(29)40(44)43-36)46-27-19-21-30-32-13-5-8-16-38(32)45-39-17-9-6-14-35(39)42-41(45)34(30)23-27;/h2-21,24H,1H3;/q-2;+2
InChIKeyMFKVFPPQYHCBBI-UHFFFAOYSA-N
MW783.75 g/mol
LogP10.11
Rot. Bonds3

About CID 164704200

CID 164704200 (PubChem CID 164704200) has the molecular formula C41H24N4OPt and a molecular weight of 783.75 g/mol.

Molecular Properties

Compound NameCID 164704200
PubChem CID164704200
Molecular FormulaC41H24N4OPt
Molecular Weight783.75 g/mol
Exact Mass783.16
IUPAC Name—
SMILESCc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n4c6ccccc6nc54)[c-]c3c2n1.[Pt+2]
InChIInChI=1S/C41H24N4O.Pt/c1-25-10-2-3-11-28(25)36-24-44-37-15-7-4-12-31(37)29-20-18-26(22-33(29)40(44)43-36)46-27-19-21-30-32-13-5-8-16-38(32)45-39-17-9-6-14-35(39)42-41(45)34(30)23-27;/h2-21,24H,1H3;/q-2;+2
InChIKeyMFKVFPPQYHCBBI-UHFFFAOYSA-N
XLogP10.11
TPSA43.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.75
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 154611454
CID 154611454
2,3-diphenyl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(platinum(2+));11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 163930848
11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 164704190
CID 164703851
CID 164703851
CID 164704232
CID 164704232
acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)
CID 163880827
CID 164704201
CID 164704201
platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164704087
platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164703962
CID 162487210
CID 162487210
CID 154610624
CID 154610624
CID 154611162
CID 154611162

Frequently Asked Questions

What is the IUPAC name of CID 164704200?
The IUPAC name of CID 164704200 (CID 164704200) is not available.
What is the SMILES notation for CID 164704200?
The canonical SMILES for CID 164704200 is Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n4c6ccccc6nc54)[c-]c3c2n1.[Pt+2].
What is the InChIKey of CID 164704200?
The InChIKey is MFKVFPPQYHCBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O.Pt/c1-25-10-2-3-11-28(25)36-24-44-37-15-7-4-12-31(37)29-20-18-26(22-33(29)40(44)43-36)46-27-19-21-30-32-13-5-8-16-38(32)45-39-17-9-6-14-35(39)42-41(45)34(30)23-27;/h2-21,24H,1H3;/q-2;+2.
What are the key properties of CID 164704200?
CID 164704200 has a molecular weight of 783.75 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164704200 is sourced from PubChem (CID 164704200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).