CID 164703835

C44H35N5OPt — CID 164703835

IUPAC—
SMILESCc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c(-n6c7ccccc7c7cccnc76)cc(C(C)(C)C)c5)[c-]c4c3n2)c(C)c1.[Pt+2]
InChIInChI=1S/C44H35N5O.Pt/c1-26-19-27(2)40(28(3)20-26)37-25-48-39-14-10-17-45-41(39)34-16-15-31(24-36(34)43(48)47-37)50-32-22-29(44(4,5)6)21-30(23-32)49-38-13-8-7-11-33(38)35-12-9-18-46-42(35)49;/h7-22,25H,1-6H3;/q-2;+2
InChIKeyTUTZZSVIBOVMDA-UHFFFAOYSA-N
MW844.88 g/mol
LogP10.81
Rot. Bonds4

About CID 164703835

CID 164703835 (PubChem CID 164703835) has the molecular formula C44H35N5OPt and a molecular weight of 844.88 g/mol.

Molecular Properties

Compound NameCID 164703835
PubChem CID164703835
Molecular FormulaC44H35N5OPt
Molecular Weight844.88 g/mol
Exact Mass844.25
IUPAC Name—
SMILESCc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c(-n6c7ccccc7c7cccnc76)cc(C(C)(C)C)c5)[c-]c4c3n2)c(C)c1.[Pt+2]
InChIInChI=1S/C44H35N5O.Pt/c1-26-19-27(2)40(28(3)20-26)37-25-48-39-14-10-17-45-41(39)34-16-15-31(24-36(34)43(48)47-37)50-32-22-29(44(4,5)6)21-30(23-32)49-38-13-8-7-11-33(38)35-12-9-18-46-42(35)49;/h7-22,25H,1-6H3;/q-2;+2
InChIKeyTUTZZSVIBOVMDA-UHFFFAOYSA-N
XLogP10.81
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.88
LogP ≤ 510.81
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 164704143
CID 164704143
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
CID 164703913
CID 164703913
CID 164704242
CID 164704242
CID 164703851
CID 164703851
CID 164704097
CID 164704097
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-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164704087
CID 163791617
CID 163791617
CID 163789378
CID 163789378
CID 164704296
CID 164704296

Frequently Asked Questions

What is the IUPAC name of CID 164703835?
The IUPAC name of CID 164703835 (CID 164703835) is not available.
What is the SMILES notation for CID 164703835?
The canonical SMILES for CID 164703835 is Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c(-n6c7ccccc7c7cccnc76)cc(C(C)(C)C)c5)[c-]c4c3n2)c(C)c1.[Pt+2].
What is the InChIKey of CID 164703835?
The InChIKey is TUTZZSVIBOVMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N5O.Pt/c1-26-19-27(2)40(28(3)20-26)37-25-48-39-14-10-17-45-41(39)34-16-15-31(24-36(34)43(48)47-37)50-32-22-29(44(4,5)6)21-30(23-32)49-38-13-8-7-11-33(38)35-12-9-18-46-42(35)49;/h7-22,25H,1-6H3;/q-2;+2.
What are the key properties of CID 164703835?
CID 164703835 has a molecular weight of 844.88 g/mol, XLogP of 10.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164703835 is sourced from PubChem (CID 164703835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).