2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine

C36H26F2N2 — CID 145277082

IUPAC2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine
SMILESCC1C(c2ccccc2)=NC(c2ccc(-c3ccc4c(c3)C(F)(F)c3ccccc3-4)cc2)=NC1c1ccccc1
InChIInChI=1S/C36H26F2N2/c1-23-33(25-10-4-2-5-11-25)39-35(40-34(23)26-12-6-3-7-13-26)27-18-16-24(17-19-27)28-20-21-30-29-14-8-9-15-31(29)36(37,38)32(30)22-28/h2-23,33H,1H3
InChIKeyMUIIQLIJBDTYRP-UHFFFAOYSA-N
MW524.61 g/mol
LogP9.10
Rot. Bonds4

About 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine

2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine (PubChem CID 145277082) has the molecular formula C36H26F2N2 and a molecular weight of 524.61 g/mol. Its IUPAC name is 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine
PubChem CID145277082
Molecular FormulaC36H26F2N2
Molecular Weight524.61 g/mol
Exact Mass524.21
IUPAC Name2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine
SMILESCC1C(c2ccccc2)=NC(c2ccc(-c3ccc4c(c3)C(F)(F)c3ccccc3-4)cc2)=NC1c1ccccc1
InChIInChI=1S/C36H26F2N2/c1-23-33(25-10-4-2-5-11-25)39-35(40-34(23)26-12-6-3-7-13-26)27-18-16-24(17-19-27)28-20-21-30-29-14-8-9-15-31(29)36(37,38)32(30)22-28/h2-23,33H,1H3
InChIKeyMUIIQLIJBDTYRP-UHFFFAOYSA-N
XLogP9.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.61
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine?
The IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine (CID 145277082) is 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine.
What is the SMILES notation for 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine?
The canonical SMILES for 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine is CC1C(c2ccccc2)=NC(c2ccc(-c3ccc4c(c3)C(F)(F)c3ccccc3-4)cc2)=NC1c1ccccc1.
What is the InChIKey of 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine?
The InChIKey is MUIIQLIJBDTYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F2N2/c1-23-33(25-10-4-2-5-11-25)39-35(40-34(23)26-12-6-3-7-13-26)27-18-16-24(17-19-27)28-20-21-30-29-14-8-9-15-31(29)36(37,38)32(30)22-28/h2-23,33H,1H3.
What are the key properties of 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine?
2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine has a molecular weight of 524.61 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine is sourced from PubChem (CID 145277082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).