4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine

C41H30N2O — CID 130465590

IUPAC4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccco5)n4)cc3)c21
InChIInChI=1S/C41H30N2O/c1-41(2)35-15-7-6-12-33(35)34-14-8-13-32(39(34)41)29-19-23-31(24-20-29)37-26-36(42-40(43-37)38-16-9-25-44-38)30-21-17-28(18-22-30)27-10-4-3-5-11-27/h3-26H,1-2H3
InChIKeyACSDCUHGGRFSIN-UHFFFAOYSA-N
MW566.70 g/mol
LogP10.71
Rot. Bonds5

About 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine

4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine (PubChem CID 130465590) has the molecular formula C41H30N2O and a molecular weight of 566.70 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine
PubChem CID130465590
Molecular FormulaC41H30N2O
Molecular Weight566.70 g/mol
Exact Mass566.24
IUPAC Name4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccco5)n4)cc3)c21
InChIInChI=1S/C41H30N2O/c1-41(2)35-15-7-6-12-33(35)34-14-8-13-32(39(34)41)29-19-23-31(24-20-29)37-26-36(42-40(43-37)38-16-9-25-44-38)30-21-17-28(18-22-30)27-10-4-3-5-11-27/h3-26H,1-2H3
InChIKeyACSDCUHGGRFSIN-UHFFFAOYSA-N
XLogP10.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 130465630
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465640
2-(9,9-dimethylfluoren-1-yl)-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 126544515
4-[4-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphthalen-1-yl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 168778081
4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole
CID 158039622
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171584543
2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 126544505
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine (CID 130465590) is 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine is CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccco5)n4)cc3)c21.
What is the InChIKey of 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine?
The InChIKey is ACSDCUHGGRFSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2O/c1-41(2)35-15-7-6-12-33(35)34-14-8-13-32(39(34)41)29-19-23-31(24-20-29)37-26-36(42-40(43-37)38-16-9-25-44-38)30-21-17-28(18-22-30)27-10-4-3-5-11-27/h3-26H,1-2H3.
What are the key properties of 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine?
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine has a molecular weight of 566.70 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 130465590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).