CID 164703851

C38H23N5OPt — CID 164703851

IUPAC—
SMILESCc1ccccc1-c1cn2c3cccnc3c3ccc(Oc4[c-]c(-n5c6ccccc6c6cccnc65)ccc4)[c-]c3c2n1.[Pt+2]
InChIInChI=1S/C38H23N5O.Pt/c1-24-9-2-3-12-28(24)33-23-42-35-16-8-19-39-36(35)30-18-17-27(22-32(30)38(42)41-33)44-26-11-6-10-25(21-26)43-34-15-5-4-13-29(34)31-14-7-20-40-37(31)43;/h2-20,23H,1H3;/q-2;+2
InChIKeyISRRGDBOSXJEKX-UHFFFAOYSA-N
MW760.71 g/mol
LogP8.89
Rot. Bonds4

About CID 164703851

CID 164703851 (PubChem CID 164703851) has the molecular formula C38H23N5OPt and a molecular weight of 760.71 g/mol.

Molecular Properties

Compound NameCID 164703851
PubChem CID164703851
Molecular FormulaC38H23N5OPt
Molecular Weight760.71 g/mol
Exact Mass760.16
IUPAC Name—
SMILESCc1ccccc1-c1cn2c3cccnc3c3ccc(Oc4[c-]c(-n5c6ccccc6c6cccnc65)ccc4)[c-]c3c2n1.[Pt+2]
InChIInChI=1S/C38H23N5O.Pt/c1-24-9-2-3-12-28(24)33-23-42-35-16-8-19-39-36(35)30-18-17-27(22-32(30)38(42)41-33)44-26-11-6-10-25(21-26)43-34-15-5-4-13-29(34)31-14-7-20-40-37(31)43;/h2-20,23H,1H3;/q-2;+2
InChIKeyISRRGDBOSXJEKX-UHFFFAOYSA-N
XLogP8.89
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.71
LogP ≤ 58.89
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-[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
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 164703835
CID 164703835
CID 164704232
CID 164704232
CID 164703843
CID 164703843
CID 164704242
CID 164704242
CID 164704200
CID 164704200
CID 164704143
CID 164704143
CID 164703913
CID 164703913
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
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
CID 164704097
CID 164704097

Frequently Asked Questions

What is the IUPAC name of CID 164703851?
The IUPAC name of CID 164703851 (CID 164703851) is not available.
What is the SMILES notation for CID 164703851?
The canonical SMILES for CID 164703851 is Cc1ccccc1-c1cn2c3cccnc3c3ccc(Oc4[c-]c(-n5c6ccccc6c6cccnc65)ccc4)[c-]c3c2n1.[Pt+2].
What is the InChIKey of CID 164703851?
The InChIKey is ISRRGDBOSXJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5O.Pt/c1-24-9-2-3-12-28(24)33-23-42-35-16-8-19-39-36(35)30-18-17-27(22-32(30)38(42)41-33)44-26-11-6-10-25(21-26)43-34-15-5-4-13-29(34)31-14-7-20-40-37(31)43;/h2-20,23H,1H3;/q-2;+2.
What are the key properties of CID 164703851?
CID 164703851 has a molecular weight of 760.71 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164703851 is sourced from PubChem (CID 164703851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).