4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine

C42H31N3 — CID 146632880

IUPAC4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5cccnc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)ccc21
InChIInChI=1S/C42H31N3/c1-42(2)37-19-7-6-18-35(37)36-25-31(20-21-38(36)42)30-14-8-15-32(23-30)39-26-40(34-17-10-22-43-27-34)45-41(44-39)33-16-9-13-29(24-33)28-11-4-3-5-12-28/h3-27H,1-2H3
InChIKeySBZSOWMJLRNQFD-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.51
Rot. Bonds5

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

4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine (PubChem CID 146632880) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
PubChem CID146632880
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5cccnc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)ccc21
InChIInChI=1S/C42H31N3/c1-42(2)37-19-7-6-18-35(37)36-25-31(20-21-38(36)42)30-14-8-15-32(23-30)39-26-40(34-17-10-22-43-27-34)45-41(44-39)33-16-9-13-29(24-33)28-11-4-3-5-12-28/h3-27H,1-2H3
InChIKeySBZSOWMJLRNQFD-UHFFFAOYSA-N
XLogP10.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146633236
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461
4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632410
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
4-(3-phenylphenyl)-2-pyridin-3-yl-6-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine
CID 146557528
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine (CID 146632880) is 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5cccnc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)ccc21.
What is the InChIKey of 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The InChIKey is SBZSOWMJLRNQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-42(2)37-19-7-6-18-35(37)36-25-31(20-21-38(36)42)30-14-8-15-32(23-30)39-26-40(34-17-10-22-43-27-34)45-41(44-39)33-16-9-13-29(24-33)28-11-4-3-5-12-28/h3-27H,1-2H3.
What are the key properties of 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine?
4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine has a molecular weight of 577.73 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 146632880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).