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

C39H26F2N2 — CID 135247245

IUPAC6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc34)cc21
InChIInChI=1S/C39H26F2N2/c40-39(41)34-18-10-9-17-31(34)32-20-19-27(23-35(32)39)28-21-22-33(30-16-8-7-15-29(28)30)37-24-36(25-11-3-1-4-12-25)42-38(43-37)26-13-5-2-6-14-26/h1-24,36H,(H,42,43)
InChIKeyPTCPYSHUEOQUQA-UHFFFAOYSA-N
MW560.65 g/mol
LogP9.76
Rot. Bonds4

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

6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine (PubChem CID 135247245) has the molecular formula C39H26F2N2 and a molecular weight of 560.65 g/mol. Its IUPAC name is 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
PubChem CID135247245
Molecular FormulaC39H26F2N2
Molecular Weight560.65 g/mol
Exact Mass560.21
IUPAC Name6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc34)cc21
InChIInChI=1S/C39H26F2N2/c40-39(41)34-18-10-9-17-31(34)32-20-19-27(23-35(32)39)28-21-22-33(30-16-8-7-15-29(28)30)37-24-36(25-11-3-1-4-12-25)42-38(43-37)26-13-5-2-6-14-26/h1-24,36H,(H,42,43)
InChIKeyPTCPYSHUEOQUQA-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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Related Compounds

6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263552
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'-[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
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
CID 134304744
2-[2-[4-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 135247214
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
8-[7'-[3-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]-3,4-dihydroquinoline
CID 146547554

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine?
The IUPAC name of 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine (CID 135247245) is 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine is FC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc34)cc21.
What is the InChIKey of 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine?
The InChIKey is PTCPYSHUEOQUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26F2N2/c40-39(41)34-18-10-9-17-31(34)32-20-19-27(23-35(32)39)28-21-22-33(30-16-8-7-15-29(28)30)37-24-36(25-11-3-1-4-12-25)42-38(43-37)26-13-5-2-6-14-26/h1-24,36H,(H,42,43).
What are the key properties of 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine?
6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-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 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 135247245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).