4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine

C40H27N3 — CID 163836972

IUPAC4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5-c5ccccc5C6)cc4)cc(-c4cccnc4)n3)cc2)cc1
InChIInChI=1S/C40H27N3/c1-2-8-27(9-3-1)28-15-21-31(22-16-28)40-42-37(25-38(43-40)34-12-7-23-41-26-34)30-19-17-29(18-20-30)35-14-6-11-33-24-32-10-4-5-13-36(32)39(33)35/h1-23,25-26H,24H2
InChIKeyOIPDQOCIIIEHPZ-UHFFFAOYSA-N
MW549.68 g/mol
LogP9.78
Rot. Bonds5

About 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine

4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine (PubChem CID 163836972) has the molecular formula C40H27N3 and a molecular weight of 549.68 g/mol. Its IUPAC name is 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
PubChem CID163836972
Molecular FormulaC40H27N3
Molecular Weight549.68 g/mol
Exact Mass549.22
IUPAC Name4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5-c5ccccc5C6)cc4)cc(-c4cccnc4)n3)cc2)cc1
InChIInChI=1S/C40H27N3/c1-2-8-27(9-3-1)28-15-21-31(22-16-28)40-42-37(25-38(43-40)34-12-7-23-41-26-34)30-19-17-29(18-20-30)35-14-6-11-33-24-32-10-4-5-13-36(32)39(33)35/h1-23,25-26H,24H2
InChIKeyOIPDQOCIIIEHPZ-UHFFFAOYSA-N
XLogP9.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520
2,4-diphenyl-6-[3-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine
CID 163812765
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 158403329
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158284037
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
2,4-diphenyl-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 167597427
4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263534
2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 160517437
2-[2-(9H-fluoren-4-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 146886116
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583
2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine
CID 167113564

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine (CID 163836972) is 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5-c5ccccc5C6)cc4)cc(-c4cccnc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The InChIKey is OIPDQOCIIIEHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3/c1-2-8-27(9-3-1)28-15-21-31(22-16-28)40-42-37(25-38(43-40)34-12-7-23-41-26-34)30-19-17-29(18-20-30)35-14-6-11-33-24-32-10-4-5-13-36(32)39(33)35/h1-23,25-26H,24H2.
What are the key properties of 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine?
4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine has a molecular weight of 549.68 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 163836972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).