CID 172514300

C74H58N10Pt2 — CID 172514300

IUPAC—
SMILESCC(C)(C)c1n[c-]n(-c2ccccc2)n1.CC(C)(C)c1n[c-]n(-c2ccccc2)n1.[Pt+2].[Pt+2].[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43.[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43
InChIInChI=1S/2C25H15N2.2C12H14N3.2Pt/c2*1-2-9-19-17(7-1)14-15-18-8-6-16-26-25(18)27-23-13-4-3-10-20(23)22-12-5-11-21(19)24(22)27;2*1-12(2,3)11-13-9-15(14-11)10-7-5-4-6-8-10;;/h2*1-12,14-16H;2*4-8H,1-3H3;;/q4*-1;2*+2/b2*15-14-;;;;
InChIKeyZVBKQNHKUJBRMG-NCPUMHCHSA-N
MW1477.50 g/mol
LogP17.34
Rot. Bonds2

About CID 172514300

CID 172514300 (PubChem CID 172514300) has the molecular formula C74H58N10Pt2 and a molecular weight of 1477.50 g/mol.

Molecular Properties

Compound NameCID 172514300
PubChem CID172514300
Molecular FormulaC74H58N10Pt2
Molecular Weight1477.50 g/mol
Exact Mass1476.41
IUPAC Name—
SMILESCC(C)(C)c1n[c-]n(-c2ccccc2)n1.CC(C)(C)c1n[c-]n(-c2ccccc2)n1.[Pt+2].[Pt+2].[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43.[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43
InChIInChI=1S/2C25H15N2.2C12H14N3.2Pt/c2*1-2-9-19-17(7-1)14-15-18-8-6-16-26-25(18)27-23-13-4-3-10-20(23)22-12-5-11-21(19)24(22)27;2*1-12(2,3)11-13-9-15(14-11)10-7-5-4-6-8-10;;/h2*1-12,14-16H;2*4-8H,1-3H3;;/q4*-1;2*+2/b2*15-14-;;;;
InChIKeyZVBKQNHKUJBRMG-NCPUMHCHSA-N
XLogP17.34
TPSA96.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001477.50
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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CID 172514280
bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide);platinum(2+)
CID 162446614
9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446584
bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)
CID 162446559
14-(3-pyrido[2,3-b]indol-9-ylphenyl)-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
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1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole
CID 118587088
7-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]imidazo[1,5-a][1,8]naphthyridine
CID 154955874
1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene
CID 161207252
CID 164704100
CID 164704100
CID 159716535
CID 159716535
CID 58944095
CID 58944095

Frequently Asked Questions

What is the IUPAC name of CID 172514300?
The IUPAC name of CID 172514300 (CID 172514300) is not available.
What is the SMILES notation for CID 172514300?
The canonical SMILES for CID 172514300 is CC(C)(C)c1n[c-]n(-c2ccccc2)n1.CC(C)(C)c1n[c-]n(-c2ccccc2)n1.[Pt+2].[Pt+2].[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43.[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43.
What is the InChIKey of CID 172514300?
The InChIKey is ZVBKQNHKUJBRMG-NCPUMHCHSA-N. The full InChI is InChI=1S/2C25H15N2.2C12H14N3.2Pt/c2*1-2-9-19-17(7-1)14-15-18-8-6-16-26-25(18)27-23-13-4-3-10-20(23)22-12-5-11-21(19)24(22)27;2*1-12(2,3)11-13-9-15(14-11)10-7-5-4-6-8-10;;/h2*1-12,14-16H;2*4-8H,1-3H3;;/q4*-1;2*+2/b2*15-14-;;;;.
What are the key properties of CID 172514300?
CID 172514300 has a molecular weight of 1477.50 g/mol, XLogP of 17.34, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172514300 is sourced from PubChem (CID 172514300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).