4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine

C41H32N2O — CID 146670772

IUPAC4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESCC1CC2=C(C=C1c1ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1)C1C=CC=CC1O2
InChIInChI=1S/C41H32N2O/c1-27-24-40-36(34-14-8-9-15-39(34)44-40)25-35(27)30-20-16-28(17-21-30)29-18-22-32(23-19-29)38-26-37(31-10-4-2-5-11-31)42-41(43-38)33-12-6-3-7-13-33/h2-23,25-27,34,39H,24H2,1H3
InChIKeyDHEWCLVCCWUZML-UHFFFAOYSA-N
MW568.72 g/mol
LogP9.96
Rot. Bonds5

About 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine

4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 146670772) has the molecular formula C41H32N2O and a molecular weight of 568.72 g/mol. Its IUPAC name is 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID146670772
Molecular FormulaC41H32N2O
Molecular Weight568.72 g/mol
Exact Mass568.25
IUPAC Name4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESCC1CC2=C(C=C1c1ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1)C1C=CC=CC1O2
InChIInChI=1S/C41H32N2O/c1-27-24-40-36(34-14-8-9-15-39(34)44-40)25-35(27)30-20-16-28(17-21-30)29-18-22-32(23-19-29)38-26-37(31-10-4-2-5-11-31)42-41(43-38)33-12-6-3-7-13-33/h2-23,25-27,34,39H,24H2,1H3
InChIKeyDHEWCLVCCWUZML-UHFFFAOYSA-N
XLogP9.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-[4-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 140904927
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
CID 156510300
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 170371658
2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 121315643
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine (CID 146670772) is 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine is CC1CC2=C(C=C1c1ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1)C1C=CC=CC1O2.
What is the InChIKey of 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is DHEWCLVCCWUZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2O/c1-27-24-40-36(34-14-8-9-15-39(34)44-40)25-35(27)30-20-16-28(17-21-30)29-18-22-32(23-19-29)38-26-37(31-10-4-2-5-11-31)42-41(43-38)33-12-6-3-7-13-33/h2-23,25-27,34,39H,24H2,1H3.
What are the key properties of 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 568.72 g/mol, XLogP of 9.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 146670772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).