CID 164703933

C41H26N4OPt — CID 164703933

IUPAC—
SMILESCC1(C)c2ccc(Oc3[c-]c4c(cc3)c3ccccc3n3cc(-c5ccccc5)nc43)[c-]c2-n2c3ncccc3c3cccc1c32.[Pt+2]
InChIInChI=1S/C41H26N4O.Pt/c1-41(2)33-20-18-27(23-37(33)45-38-30(13-8-15-34(38)41)31-14-9-21-42-39(31)45)46-26-17-19-28-29-12-6-7-16-36(29)44-24-35(25-10-4-3-5-11-25)43-40(44)32(28)22-26;/h3-21,24H,1-2H3;/q-2;+2
InChIKeyVBIQCXOARAKIAG-UHFFFAOYSA-N
MW785.76 g/mol
LogP9.83
Rot. Bonds3

About CID 164703933

CID 164703933 (PubChem CID 164703933) has the molecular formula C41H26N4OPt and a molecular weight of 785.76 g/mol.

Molecular Properties

Compound NameCID 164703933
PubChem CID164703933
Molecular FormulaC41H26N4OPt
Molecular Weight785.76 g/mol
Exact Mass785.18
IUPAC Name—
SMILESCC1(C)c2ccc(Oc3[c-]c4c(cc3)c3ccccc3n3cc(-c5ccccc5)nc43)[c-]c2-n2c3ncccc3c3cccc1c32.[Pt+2]
InChIInChI=1S/C41H26N4O.Pt/c1-41(2)33-20-18-27(23-37(33)45-38-30(13-8-15-34(38)41)31-14-9-21-42-39(31)45)46-26-17-19-28-29-12-6-7-16-36(29)44-24-35(25-10-4-3-5-11-25)43-40(44)32(28)22-26;/h3-21,24H,1-2H3;/q-2;+2
InChIKeyVBIQCXOARAKIAG-UHFFFAOYSA-N
XLogP9.83
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.76
LogP ≤ 59.83
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 164704066
CID 164704066
CID 164704085
CID 164704085
CID 164704052
CID 164704052
CID 164703902
CID 164703902
CID 164703888
CID 164703888
CID 164704201
CID 164704201
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 164703843
CID 164703843
3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-14,14-dimethyl-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)
CID 162483158
3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)
CID 162482945
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

Frequently Asked Questions

What is the IUPAC name of CID 164703933?
The IUPAC name of CID 164703933 (CID 164703933) is not available.
What is the SMILES notation for CID 164703933?
The canonical SMILES for CID 164703933 is CC1(C)c2ccc(Oc3[c-]c4c(cc3)c3ccccc3n3cc(-c5ccccc5)nc43)[c-]c2-n2c3ncccc3c3cccc1c32.[Pt+2].
What is the InChIKey of CID 164703933?
The InChIKey is VBIQCXOARAKIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O.Pt/c1-41(2)33-20-18-27(23-37(33)45-38-30(13-8-15-34(38)41)31-14-9-21-42-39(31)45)46-26-17-19-28-29-12-6-7-16-36(29)44-24-35(25-10-4-3-5-11-25)43-40(44)32(28)22-26;/h3-21,24H,1-2H3;/q-2;+2.
What are the key properties of CID 164703933?
CID 164703933 has a molecular weight of 785.76 g/mol, XLogP of 9.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164703933 is sourced from PubChem (CID 164703933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).