CID 169309483

C40H21N8OPt- — CID 169309483

IUPAC—
SMILESOc1cccc2nc3c4ccccc4n4c5cccc(-c6[c-]c7c(cc6)nc6c8ccccc8n8c9ccccc9nc8n76)c5nc4n3c12.[Pt]
InChIInChI=1S/C40H21N8O.Pt/c49-34-18-8-13-28-36(34)48-38(42-28)25-10-2-5-15-30(25)46-32-17-7-11-23(35(32)44-40(46)48)22-19-20-27-33(21-22)47-37(41-27)24-9-1-4-14-29(24)45-31-16-6-3-12-26(31)43-39(45)47;/h1-20,49H;/q-1;
InChIKeyQFFJOPIFKRNDRM-UHFFFAOYSA-N
MW824.74 g/mol
LogP8.37
Rot. Bonds1

About CID 169309483

CID 169309483 (PubChem CID 169309483) has the molecular formula C40H21N8OPt- and a molecular weight of 824.74 g/mol.

Molecular Properties

Compound NameCID 169309483
PubChem CID169309483
Molecular FormulaC40H21N8OPt-
Molecular Weight824.74 g/mol
Exact Mass824.15
IUPAC Name—
SMILESOc1cccc2nc3c4ccccc4n4c5cccc(-c6[c-]c7c(cc6)nc6c8ccccc8n8c9ccccc9nc8n76)c5nc4n3c12.[Pt]
InChIInChI=1S/C40H21N8O.Pt/c49-34-18-8-13-28-36(34)48-38(42-28)25-10-2-5-15-30(25)46-32-17-7-11-23(35(32)44-40(46)48)22-19-20-27-33(21-22)47-37(41-27)24-9-1-4-14-29(24)45-31-16-6-3-12-26(31)43-39(45)47;/h1-20,49H;/q-1;
InChIKeyQFFJOPIFKRNDRM-UHFFFAOYSA-N
XLogP8.37
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.74
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

CID 169309414
CID 169309414
2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum
CID 169309430
14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol
CID 146639537
2,9,17-triazaheptacyclo[15.10.1.02,10.03,8.011,16.018,23.024,28]octacosa-1(27),3,5,7,9,11,13,15,18,20,22,24(28),25-tridecaene
CID 164734138
18-(2,6-dimethylphenyl)-2,9,17,19-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.020,24]tetracosa-1(23),3,5,7,9,11,13,15,18,20(24),21-undecaene
CID 164734168
20-(3-triphenylen-2-ylphenyl)-2,9,17,25-tetrazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,19,21,23-undecaen-18-one
CID 165126182
8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum
CID 177294147
3-(2,6-diethylphenyl)-2,5,13,20-tetrazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(20),3,5,7,9,11,14,16,18-nonaene
CID 140949690
17-hydroxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 141341157
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
platinum;2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]phenol
CID 164823524
2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum
CID 164823645

Frequently Asked Questions

What is the IUPAC name of CID 169309483?
The IUPAC name of CID 169309483 (CID 169309483) is not available.
What is the SMILES notation for CID 169309483?
The canonical SMILES for CID 169309483 is Oc1cccc2nc3c4ccccc4n4c5cccc(-c6[c-]c7c(cc6)nc6c8ccccc8n8c9ccccc9nc8n76)c5nc4n3c12.[Pt].
What is the InChIKey of CID 169309483?
The InChIKey is QFFJOPIFKRNDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H21N8O.Pt/c49-34-18-8-13-28-36(34)48-38(42-28)25-10-2-5-15-30(25)46-32-17-7-11-23(35(32)44-40(46)48)22-19-20-27-33(21-22)47-37(41-27)24-9-1-4-14-29(24)45-31-16-6-3-12-26(31)43-39(45)47;/h1-20,49H;/q-1;.
What are the key properties of CID 169309483?
CID 169309483 has a molecular weight of 824.74 g/mol, XLogP of 8.37, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169309483 is sourced from PubChem (CID 169309483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).