6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine

C43H28F2N2 — CID 137302868

IUPAC6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=CC(c6cccc7ccccc67)=NC(c6ccccc6)N5)cc4c3)cc21
InChIInChI=1S/C43H28F2N2/c44-43(45)38-16-7-6-14-35(38)36-22-21-31(25-39(36)43)30-19-17-27-18-20-32(24-33(27)23-30)40-26-41(47-42(46-40)29-10-2-1-3-11-29)37-15-8-12-28-9-4-5-13-34(28)37/h1-26,42,46H
InChIKeyYQFISKPEDVTAOT-UHFFFAOYSA-N
MW610.71 g/mol
LogP10.91
Rot. Bonds4

About 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine

6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine (PubChem CID 137302868) has the molecular formula C43H28F2N2 and a molecular weight of 610.71 g/mol. Its IUPAC name is 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine
PubChem CID137302868
Molecular FormulaC43H28F2N2
Molecular Weight610.71 g/mol
Exact Mass610.22
IUPAC Name6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=CC(c6cccc7ccccc67)=NC(c6ccccc6)N5)cc4c3)cc21
InChIInChI=1S/C43H28F2N2/c44-43(45)38-16-7-6-14-35(38)36-22-21-31(25-39(36)43)30-19-17-27-18-20-32(24-33(27)23-30)40-26-41(47-42(46-40)29-10-2-1-3-11-29)37-15-8-12-28-9-4-5-13-34(28)37/h1-26,42,46H
InChIKeyYQFISKPEDVTAOT-UHFFFAOYSA-N
XLogP10.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 510.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine
CID 145302608
3-[7-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142487970
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine
CID 134271846
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263708
4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine
CID 134271850
6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247245
9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257395
4-[3-[3-(2-naphthalen-1-yl-4-naphthalen-2-yl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]isoquinoline
CID 137255305
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-dinaphthalen-2-ylpyrimidine;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-dinaphthalen-2-ylpyrimidine;2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157165175

Frequently Asked Questions

What is the IUPAC name of 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine?
The IUPAC name of 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine (CID 137302868) is 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine?
The canonical SMILES for 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine is FC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=CC(c6cccc7ccccc67)=NC(c6ccccc6)N5)cc4c3)cc21.
What is the InChIKey of 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine?
The InChIKey is YQFISKPEDVTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F2N2/c44-43(45)38-16-7-6-14-35(38)36-22-21-31(25-39(36)43)30-19-17-27-18-20-32(24-33(27)23-30)40-26-41(47-42(46-40)29-10-2-1-3-11-29)37-15-8-12-28-9-4-5-13-34(28)37/h1-26,42,46H.
What are the key properties of 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine?
6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine has a molecular weight of 610.71 g/mol, XLogP of 10.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 137302868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).