2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol

C36H23N3OS — CID 166511765

IUPAC2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(C2(c3cccc(-c4ncnc5sccc45)c3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C36H23N3OS/c40-32-17-6-3-13-27(32)31-16-8-18-33(39-31)36(29-14-4-1-11-25(29)26-12-2-5-15-30(26)36)24-10-7-9-23(21-24)34-28-19-20-41-35(28)38-22-37-34/h1-22,40H
InChIKeyGSBGVXYPFHPGCI-UHFFFAOYSA-N
MW545.67 g/mol
LogP8.49
Rot. Bonds4

About 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol

2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol (PubChem CID 166511765) has the molecular formula C36H23N3OS and a molecular weight of 545.67 g/mol. Its IUPAC name is 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
PubChem CID166511765
Molecular FormulaC36H23N3OS
Molecular Weight545.67 g/mol
Exact Mass545.16
IUPAC Name2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(C2(c3cccc(-c4ncnc5sccc45)c3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C36H23N3OS/c40-32-17-6-3-13-27(32)31-16-8-18-33(39-31)36(29-14-4-1-11-25(29)26-12-2-5-15-30(26)36)24-10-7-9-23(21-24)34-28-19-20-41-35(28)38-22-37-34/h1-22,40H
InChIKeyGSBGVXYPFHPGCI-UHFFFAOYSA-N
XLogP8.49
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.67
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511811
2-[6-[9-(3-benzo[g]quinoxalin-3-ylphenyl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol
CID 166511841
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
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-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077
2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
CID 161415824
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
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-[3-[3-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]phenyl]phenyl]-1,10-phenanthroline
CID 70858599
2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine
CID 167327880
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;2-[9-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-4-(2,4,6-trimethylphenyl)benzo[h]quinolin-2-yl]phenol;2-[6-[3-(9-pyridin-2-ylxanthen-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;2-[9-(9-pyridin-2-ylxanthen-9-yl)-4-(2,4,6-trimethylphenyl)benzo[h]quinolin-2-yl]phenol
CID 160559506

Frequently Asked Questions

What is the IUPAC name of 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol (CID 166511765) is 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol is Oc1ccccc1-c1cccc(C2(c3cccc(-c4ncnc5sccc45)c3)c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol?
The InChIKey is GSBGVXYPFHPGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3OS/c40-32-17-6-3-13-27(32)31-16-8-18-33(39-31)36(29-14-4-1-11-25(29)26-12-2-5-15-30(26)36)24-10-7-9-23(21-24)34-28-19-20-41-35(28)38-22-37-34/h1-22,40H.
What are the key properties of 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol?
2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol has a molecular weight of 545.67 g/mol, XLogP of 8.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 166511765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).