CID 164704143

C44H35N5OPt — CID 164704143

IUPAC—
SMILESCc1cc(C)c(-c2cn3c(n2)c2[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)cc(C(C)(C)C)c4)ccc2c2cccnc23)c(C)c1.[Pt+2]
InChIInChI=1S/C44H35N5O.Pt/c1-26-19-27(2)40(28(3)20-26)38-25-48-41-35(12-9-17-45-41)33-16-15-31(24-37(33)43(48)47-38)50-32-22-29(44(4,5)6)21-30(23-32)49-39-14-8-7-11-34(39)36-13-10-18-46-42(36)49;/h7-22,25H,1-6H3;/q-2;+2
InChIKeyQMBUQUYUGHOTAU-UHFFFAOYSA-N
MW844.88 g/mol
LogP10.81
Rot. Bonds4

About CID 164704143

CID 164704143 (PubChem CID 164704143) has the molecular formula C44H35N5OPt and a molecular weight of 844.88 g/mol.

Molecular Properties

Compound NameCID 164704143
PubChem CID164704143
Molecular FormulaC44H35N5OPt
Molecular Weight844.88 g/mol
Exact Mass844.25
IUPAC Name—
SMILESCc1cc(C)c(-c2cn3c(n2)c2[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)cc(C(C)(C)C)c4)ccc2c2cccnc23)c(C)c1.[Pt+2]
InChIInChI=1S/C44H35N5O.Pt/c1-26-19-27(2)40(28(3)20-26)38-25-48-41-35(12-9-17-45-41)33-16-15-31(24-37(33)43(48)47-38)50-32-22-29(44(4,5)6)21-30(23-32)49-39-14-8-7-11-34(39)36-13-10-18-46-42(36)49;/h7-22,25H,1-6H3;/q-2;+2
InChIKeyQMBUQUYUGHOTAU-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 164703835
CID 164703835
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 164703913
CID 164703913
CID 164703843
CID 164703843
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 164704296
CID 164704296
CID 164704232
CID 164704232
CID 164704097
CID 164704097
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 164703888
CID 164703888
CID 164704242
CID 164704242
CID 164703851
CID 164703851

Frequently Asked Questions

What is the IUPAC name of CID 164704143?
The IUPAC name of CID 164704143 (CID 164704143) is not available.
What is the SMILES notation for CID 164704143?
The canonical SMILES for CID 164704143 is Cc1cc(C)c(-c2cn3c(n2)c2[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)cc(C(C)(C)C)c4)ccc2c2cccnc23)c(C)c1.[Pt+2].
What is the InChIKey of CID 164704143?
The InChIKey is QMBUQUYUGHOTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N5O.Pt/c1-26-19-27(2)40(28(3)20-26)38-25-48-41-35(12-9-17-45-41)33-16-15-31(24-37(33)43(48)47-38)50-32-22-29(44(4,5)6)21-30(23-32)49-39-14-8-7-11-34(39)36-13-10-18-46-42(36)49;/h7-22,25H,1-6H3;/q-2;+2.
What are the key properties of CID 164704143?
CID 164704143 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 164704143 is sourced from PubChem (CID 164704143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).