2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum

C40H24N3OPtS- — CID 166511739

IUPAC2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum
SMILES[2H]c1cccc2c3c(ccc12)C(c1[c-]c(-c2ncnc4ccsc24)ccc1)(c1cccc(-c2ccccc2O)n1)c1ccccc1-3.[Pt]
InChIInChI=1S/C40H24N3OS.Pt/c44-35-17-6-4-14-30(35)33-16-8-18-36(43-33)40(27-11-7-10-26(23-27)38-39-34(21-22-45-39)41-24-42-38)31-15-5-3-13-29(31)37-28-12-2-1-9-25(28)19-20-32(37)40;/h1-22,24,44H;/q-1;/i9D;
InChIKeyLQHNSBLUEZPKSA-GTIFXZTCSA-N
MW790.80 g/mol
LogP9.44
Rot. Bonds4

About 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum

2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum (PubChem CID 166511739) has the molecular formula C40H24N3OPtS- and a molecular weight of 790.80 g/mol. Its IUPAC name is 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum
PubChem CID166511739
Molecular FormulaC40H24N3OPtS-
Molecular Weight790.80 g/mol
Exact Mass790.14
IUPAC Name2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum
SMILES[2H]c1cccc2c3c(ccc12)C(c1[c-]c(-c2ncnc4ccsc24)ccc1)(c1cccc(-c2ccccc2O)n1)c1ccccc1-3.[Pt]
InChIInChI=1S/C40H24N3OS.Pt/c44-35-17-6-4-14-30(35)33-16-8-18-36(43-33)40(27-11-7-10-26(23-27)38-39-34(21-22-45-39)41-24-42-38)31-15-5-3-13-29(31)37-28-12-2-1-9-25(28)19-20-32(37)40;/h1-22,24,44H;/q-1;/i9D;
InChIKeyLQHNSBLUEZPKSA-GTIFXZTCSA-N
XLogP9.44
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.80
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum with MolForge

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Related Compounds

2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511806
platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol
CID 166511770
2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511894
2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511765
2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511882
2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511793
2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511811
CID 163791433
CID 163791433
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
8-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
CID 165158278
2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
CID 134194075
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 153412677

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum (CID 166511739) is 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum is [2H]c1cccc2c3c(ccc12)C(c1[c-]c(-c2ncnc4ccsc24)ccc1)(c1cccc(-c2ccccc2O)n1)c1ccccc1-3.[Pt].
What is the InChIKey of 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is LQHNSBLUEZPKSA-GTIFXZTCSA-N. The full InChI is InChI=1S/C40H24N3OS.Pt/c44-35-17-6-4-14-30(35)33-16-8-18-36(43-33)40(27-11-7-10-26(23-27)38-39-34(21-22-45-39)41-24-42-38)31-15-5-3-13-29(31)37-28-12-2-1-9-25(28)19-20-32(37)40;/h1-22,24,44H;/q-1;/i9D;.
What are the key properties of 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum?
2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 790.80 g/mol, XLogP of 9.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 166511739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).