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

C39H26F2N2 — CID 135247128

IUPAC2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=NC(c6ccccc6)C=C(c6ccccc6)N5)cc4c3)cc21
InChIInChI=1S/C39H26F2N2/c40-39(41)34-14-8-7-13-32(34)33-20-19-29(23-35(33)39)28-17-15-25-16-18-30(22-31(25)21-28)38-42-36(26-9-3-1-4-10-26)24-37(43-38)27-11-5-2-6-12-27/h1-24,36H,(H,42,43)
InChIKeyYYVQUXMTTKJTBN-UHFFFAOYSA-N
MW560.65 g/mol
LogP9.76
Rot. Bonds4

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

2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine (PubChem CID 135247128) has the molecular formula C39H26F2N2 and a molecular weight of 560.65 g/mol. Its IUPAC name is 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine
PubChem CID135247128
Molecular FormulaC39H26F2N2
Molecular Weight560.65 g/mol
Exact Mass560.21
IUPAC Name2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=NC(c6ccccc6)C=C(c6ccccc6)N5)cc4c3)cc21
InChIInChI=1S/C39H26F2N2/c40-39(41)34-14-8-7-13-32(34)33-20-19-29(23-35(33)39)28-17-15-25-16-18-30(22-31(25)21-28)38-42-36(26-9-3-1-4-10-26)24-37(43-38)27-11-5-2-6-12-27/h1-24,36H,(H,42,43)
InChIKeyYYVQUXMTTKJTBN-UHFFFAOYSA-N
XLogP9.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 59.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine?
The IUPAC name of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine (CID 135247128) is 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine is FC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=NC(c6ccccc6)C=C(c6ccccc6)N5)cc4c3)cc21.
What is the InChIKey of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine?
The InChIKey is YYVQUXMTTKJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26F2N2/c40-39(41)34-14-8-7-13-32(34)33-20-19-29(23-35(33)39)28-17-15-25-16-18-30(22-31(25)21-28)38-42-36(26-9-3-1-4-10-26)24-37(43-38)27-11-5-2-6-12-27/h1-24,36H,(H,42,43).
What are the key properties of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine?
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine has a molecular weight of 560.65 g/mol, XLogP of 9.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 135247128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).