ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide

C50H58FN3Pt — CID 158051724

IUPACethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide
SMILESCC.CC.CC.CC.CC.Cc1ccc(F)cc1.[Pt+2].[c-]1c(Cc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-c1ccc2ccccc2n1
InChIInChI=1S/C33H21N3.C7H7F.5C2H6.Pt/c1-3-12-29-25(9-1)16-18-30(35-29)26-10-7-8-23(21-26)20-24-15-17-28-27-11-2-4-13-31(27)36(32(28)22-24)33-14-5-6-19-34-33;1-6-2-4-7(8)5-3-6;5*1-2;/h1-19H,20H2;2-5H,1H3;5*1-2H3;/q-2;;;;;;;+2
InChIKeyDHJKYTPNUQMIGM-UHFFFAOYSA-N
MW915.11 g/mol
LogP14.85
Rot. Bonds4

About ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide

ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide (PubChem CID 158051724) has the molecular formula C50H58FN3Pt and a molecular weight of 915.11 g/mol. Its IUPAC name is ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide.

Molecular Properties

Compound Nameethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide
PubChem CID158051724
Molecular FormulaC50H58FN3Pt
Molecular Weight915.11 g/mol
Exact Mass914.43
IUPAC Nameethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide
SMILESCC.CC.CC.CC.CC.Cc1ccc(F)cc1.[Pt+2].[c-]1c(Cc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-c1ccc2ccccc2n1
InChIInChI=1S/C33H21N3.C7H7F.5C2H6.Pt/c1-3-12-29-25(9-1)16-18-30(35-29)26-10-7-8-23(21-26)20-24-15-17-28-27-11-2-4-13-31(27)36(32(28)22-24)33-14-5-6-19-34-33;1-6-2-4-7(8)5-3-6;5*1-2;/h1-19H,20H2;2-5H,1H3;5*1-2H3;/q-2;;;;;;;+2
InChIKeyDHJKYTPNUQMIGM-UHFFFAOYSA-N
XLogP14.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.11
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide with MolForge

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Related Compounds

CID 158698362
CID 158698362
platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide
CID 153465712
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704
2-[3-[(6-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421686
2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421928
2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide
CID 159726041
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
1-(4-fluorophenyl)-9-pyridin-2-ylcarbazole
CID 71524443
2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 164737867
platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide
CID 153421244
platinum(2+);5-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 168810845
2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176643174

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide?
The IUPAC name of ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide (CID 158051724) is ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide.
What is the SMILES notation for ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide?
The canonical SMILES for ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide is CC.CC.CC.CC.CC.Cc1ccc(F)cc1.[Pt+2].[c-]1c(Cc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-c1ccc2ccccc2n1.
What is the InChIKey of ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide?
The InChIKey is DHJKYTPNUQMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3.C7H7F.5C2H6.Pt/c1-3-12-29-25(9-1)16-18-30(35-29)26-10-7-8-23(21-26)20-24-15-17-28-27-11-2-4-13-31(27)36(32(28)22-24)33-14-5-6-19-34-33;1-6-2-4-7(8)5-3-6;5*1-2;/h1-19H,20H2;2-5H,1H3;5*1-2H3;/q-2;;;;;;;+2.
What are the key properties of ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide?
ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide has a molecular weight of 915.11 g/mol, XLogP of 14.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide is sourced from PubChem (CID 158051724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).