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

C35H24F2N2 — CID 135247165

IUPAC6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)cc3)cc21
InChIInChI=1S/C35H24F2N2/c36-35(37)30-14-8-7-13-28(30)29-20-19-27(21-31(29)35)23-15-17-25(18-16-23)33-22-32(24-9-3-1-4-10-24)38-34(39-33)26-11-5-2-6-12-26/h1-22,32H,(H,38,39)
InChIKeyVIRBSIOZSASQQD-UHFFFAOYSA-N
MW510.59 g/mol
LogP8.61
Rot. Bonds4

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

6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine (PubChem CID 135247165) has the molecular formula C35H24F2N2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
PubChem CID135247165
Molecular FormulaC35H24F2N2
Molecular Weight510.59 g/mol
Exact Mass510.19
IUPAC Name6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)cc3)cc21
InChIInChI=1S/C35H24F2N2/c36-35(37)30-14-8-7-13-28(30)29-20-19-27(21-31(29)35)23-15-17-25(18-16-23)33-22-32(24-9-3-1-4-10-24)38-34(39-33)26-11-5-2-6-12-26/h1-22,32H,(H,38,39)
InChIKeyVIRBSIOZSASQQD-UHFFFAOYSA-N
XLogP8.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247245
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
CID 134303848
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263552
10-phenyl-2'-[3-[4-phenyl-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263663
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425
2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine
CID 163727041
2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
CID 163983401
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
CID 168812688
4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine
CID 123394008

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine?
The IUPAC name of 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine (CID 135247165) is 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine is FC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)cc3)cc21.
What is the InChIKey of 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine?
The InChIKey is VIRBSIOZSASQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24F2N2/c36-35(37)30-14-8-7-13-28(30)29-20-19-27(21-31(29)35)23-15-17-25(18-16-23)33-22-32(24-9-3-1-4-10-24)38-34(39-33)26-11-5-2-6-12-26/h1-22,32H,(H,38,39).
What are the key properties of 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine?
6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine has a molecular weight of 510.59 g/mol, XLogP of 8.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 135247165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).