2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)

C55H42N2OPtS2 — CID 140824200

IUPAC2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cc4c(c3)sc3ccccc34)n1)(c1cccc(-c3[c-]cc4c(c3)sc3ccccc34)n1)c1cc(C(C)(C)C)ccc1O2.[Pt+2]
InChIInChI=1S/C55H42N2OS2.Pt/c1-53(2,3)35-23-27-45-41(31-35)55(42-32-36(54(4,5)6)24-28-46(42)58-45,51-19-11-15-43(56-51)33-21-25-39-37-13-7-9-17-47(37)59-49(39)29-33)52-20-12-16-44(57-52)34-22-26-40-38-14-8-10-18-48(38)60-50(40)30-34;/h7-20,23-32H,1-6H3;/q-2;+2
InChIKeyCNFVOFTVCNTZBW-UHFFFAOYSA-N
MW1006.17 g/mol
LogP15.23
Rot. Bonds4

About 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)

2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+) (PubChem CID 140824200) has the molecular formula C55H42N2OPtS2 and a molecular weight of 1006.17 g/mol. Its IUPAC name is 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)
PubChem CID140824200
Molecular FormulaC55H42N2OPtS2
Molecular Weight1006.17 g/mol
Exact Mass1005.24
IUPAC Name2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cc4c(c3)sc3ccccc34)n1)(c1cccc(-c3[c-]cc4c(c3)sc3ccccc34)n1)c1cc(C(C)(C)C)ccc1O2.[Pt+2]
InChIInChI=1S/C55H42N2OS2.Pt/c1-53(2,3)35-23-27-45-41(31-35)55(42-32-36(54(4,5)6)24-28-46(42)58-45,51-19-11-15-43(56-51)33-21-25-39-37-13-7-9-17-47(37)59-49(39)29-33)52-20-12-16-44(57-52)34-22-26-40-38-14-8-10-18-48(38)60-50(40)30-34;/h7-20,23-32H,1-6H3;/q-2;+2
InChIKeyCNFVOFTVCNTZBW-UHFFFAOYSA-N
XLogP15.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.17
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+) with MolForge

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Related Compounds

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CID 88594568
N-(4-phenylphenyl)-N-[4-(15,15,18-trimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(27),2,4,6,9(14),10,12,16,19,21,23-undecaen-12-yl)phenyl]dibenzothiophen-4-amine
CID 90270134
9-Phenyl-3-[3-[[2-(9-phenylcarbazol-3-yl)-1-benzothiophen-3-yl]oxy]-1-benzothiophen-2-yl]carbazole
CID 124011218
5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12a-methyl-7aH-[1]benzofuro[3,2-c]carbazole
CID 126695377
10'-Dibenzothiophen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351530
10'-Dibenzothiophen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351532
Spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351789
3'-[(1Z)-buta-1,3-dienyl]-2'-methylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,4'-[1]benzothiolo[3,2-g]chromene]
CID 134353488
3-[(2E,3E)-2-[(Z)-but-2-enylidene]-3-[4-(3-dibenzothiophen-4-ylphenyl)-1-methylquinazolin-2-ylidene]-1-benzofuran-5-yl]-9-phenylcarbazole
CID 134599173
2'-Dibenzothiophen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135139929
2'-Dibenzothiophen-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135139932

Frequently Asked Questions

What is the IUPAC name of 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)?
The IUPAC name of 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+) (CID 140824200) is 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+).
What is the SMILES notation for 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)?
The canonical SMILES for 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+) is CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cc4c(c3)sc3ccccc34)n1)(c1cccc(-c3[c-]cc4c(c3)sc3ccccc34)n1)c1cc(C(C)(C)C)ccc1O2.[Pt+2].
What is the InChIKey of 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)?
The InChIKey is CNFVOFTVCNTZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2OS2.Pt/c1-53(2,3)35-23-27-45-41(31-35)55(42-32-36(54(4,5)6)24-28-46(42)58-45,51-19-11-15-43(56-51)33-21-25-39-37-13-7-9-17-47(37)59-49(39)29-33)52-20-12-16-44(57-52)34-22-26-40-38-14-8-10-18-48(38)60-50(40)30-34;/h7-20,23-32H,1-6H3;/q-2;+2.
What are the key properties of 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+)?
2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+) has a molecular weight of 1006.17 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-dibenzothiophen-2-id-3-yl)-6-[2,7-ditert-butyl-9-[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]xanthen-9-yl]pyridine;platinum(2+) is sourced from PubChem (CID 140824200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).