2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum

C38H24N3OPt- — CID 166511894

IUPAC2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
SMILES[2H]c1cccc(-c2cccc(C3(c4[c-]c(-c5ncc6ccccc6n5)ccc4)c4ccccc4-c4ccccc43)n2)c1O.[Pt]
InChIInChI=1S/C38H24N3O.Pt/c42-35-21-8-4-16-30(35)34-20-10-22-36(40-34)38(31-17-5-2-14-28(31)29-15-3-6-18-32(29)38)27-13-9-12-25(23-27)37-39-24-26-11-1-7-19-33(26)41-37;/h1-22,24,42H;/q-1;/i21D;
InChIKeySCNZTPKKVBKGCW-IXAFZXAJSA-N
MW734.71 g/mol
LogP8.23
Rot. Bonds4

About 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum

2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum (PubChem CID 166511894) has the molecular formula C38H24N3OPt- and a molecular weight of 734.71 g/mol. Its IUPAC name is 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
PubChem CID166511894
Molecular FormulaC38H24N3OPt-
Molecular Weight734.71 g/mol
Exact Mass734.16
IUPAC Name2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
SMILES[2H]c1cccc(-c2cccc(C3(c4[c-]c(-c5ncc6ccccc6n5)ccc4)c4ccccc4-c4ccccc43)n2)c1O.[Pt]
InChIInChI=1S/C38H24N3O.Pt/c42-35-21-8-4-16-30(35)34-20-10-22-36(40-34)38(31-17-5-2-14-28(31)29-15-3-6-18-32(29)38)27-13-9-12-25(23-27)37-39-24-26-11-1-7-19-33(26)41-37;/h1-22,24,42H;/q-1;/i21D;
InChIKeySCNZTPKKVBKGCW-IXAFZXAJSA-N
XLogP8.23
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.71
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
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
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-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511793
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
2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511811
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline
CID 167176941
2-quinazolin-2-ylquinolin-8-ol
CID 136672132
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
CID 176592361
platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol
CID 153280573
2-phenylquinazoline
CID 158733567
CID 163791433
CID 163791433

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum (CID 166511894) is 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum is [2H]c1cccc(-c2cccc(C3(c4[c-]c(-c5ncc6ccccc6n5)ccc4)c4ccccc4-c4ccccc43)n2)c1O.[Pt].
What is the InChIKey of 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is SCNZTPKKVBKGCW-IXAFZXAJSA-N. The full InChI is InChI=1S/C38H24N3O.Pt/c42-35-21-8-4-16-30(35)34-20-10-22-36(40-34)38(31-17-5-2-14-28(31)29-15-3-6-18-32(29)38)27-13-9-12-25(23-27)37-39-24-26-11-1-7-19-33(26)41-37;/h1-22,24,42H;/q-1;/i21D;.
What are the key properties of 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum?
2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 734.71 g/mol, XLogP of 8.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 166511894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).