CID 172514280

C76H60N8Pt2 — CID 172514280

IUPAC—
SMILESCC(C)(C)c1cn(-c2ccccc2)[c-]n1.CC(C)(C)c1cn(-c2ccccc2)[c-]n1.[Pt+2].[Pt+2].[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43.[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43
InChIInChI=1S/2C25H15N2.2C13H15N2.2Pt/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*1-13(2,3)12-9-15(10-14-12)11-7-5-4-6-8-11;;/h2*1-12,14-16H;2*4-9H,1-3H3;;/q4*-1;2*+2/b2*15-14-;;;;
InChIKeyDRCOKPDIBYXJLJ-NCPUMHCHSA-N
MW1475.53 g/mol
LogP18.55
Rot. Bonds2

About CID 172514280

CID 172514280 (PubChem CID 172514280) has the molecular formula C76H60N8Pt2 and a molecular weight of 1475.53 g/mol.

Molecular Properties

Compound NameCID 172514280
PubChem CID172514280
Molecular FormulaC76H60N8Pt2
Molecular Weight1475.53 g/mol
Exact Mass1474.42
IUPAC Name—
SMILESCC(C)(C)c1cn(-c2ccccc2)[c-]n1.CC(C)(C)c1cn(-c2ccccc2)[c-]n1.[Pt+2].[Pt+2].[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43.[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43
InChIInChI=1S/2C25H15N2.2C13H15N2.2Pt/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*1-13(2,3)12-9-15(10-14-12)11-7-5-4-6-8-11;;/h2*1-12,14-16H;2*4-9H,1-3H3;;/q4*-1;2*+2/b2*15-14-;;;;
InChIKeyDRCOKPDIBYXJLJ-NCPUMHCHSA-N
XLogP18.55
TPSA70.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001475.53
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 172514300
CID 172514300
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
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)
CID 162446559
23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
CID 170187674
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
CID 146826614
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 172534888
CID 172534888
CID 164704100
CID 164704100

Frequently Asked Questions

What is the IUPAC name of CID 172514280?
The IUPAC name of CID 172514280 (CID 172514280) is not available.
What is the SMILES notation for CID 172514280?
The canonical SMILES for CID 172514280 is CC(C)(C)c1cn(-c2ccccc2)[c-]n1.CC(C)(C)c1cn(-c2ccccc2)[c-]n1.[Pt+2].[Pt+2].[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43.[c-]1cccc2c3cccc4c5ccccc5ccc5cccnc5n(c12)c43.
What is the InChIKey of CID 172514280?
The InChIKey is DRCOKPDIBYXJLJ-NCPUMHCHSA-N. The full InChI is InChI=1S/2C25H15N2.2C13H15N2.2Pt/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*1-13(2,3)12-9-15(10-14-12)11-7-5-4-6-8-11;;/h2*1-12,14-16H;2*4-9H,1-3H3;;/q4*-1;2*+2/b2*15-14-;;;;.
What are the key properties of CID 172514280?
CID 172514280 has a molecular weight of 1475.53 g/mol, XLogP of 18.55, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172514280 is sourced from PubChem (CID 172514280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).