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

C45H30F2N2 — CID 135247147

IUPAC2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=NC(c6ccc(-c7ccccc7)cc6)C=C(c6ccccc6)N5)cc4c3)cc21
InChIInChI=1S/C45H30F2N2/c46-45(47)40-14-8-7-13-38(40)39-24-23-35(27-41(39)45)34-21-17-31-18-22-36(26-37(31)25-34)44-48-42(32-11-5-2-6-12-32)28-43(49-44)33-19-15-30(16-20-33)29-9-3-1-4-10-29/h1-28,43H,(H,48,49)
InChIKeyQMWYZHOTJMZKOL-UHFFFAOYSA-N
MW636.75 g/mol
LogP11.43
Rot. Bonds5

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

2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine (PubChem CID 135247147) has the molecular formula C45H30F2N2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
PubChem CID135247147
Molecular FormulaC45H30F2N2
Molecular Weight636.75 g/mol
Exact Mass636.24
IUPAC Name2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=NC(c6ccc(-c7ccccc7)cc6)C=C(c6ccccc6)N5)cc4c3)cc21
InChIInChI=1S/C45H30F2N2/c46-45(47)40-14-8-7-13-38(40)39-24-23-35(27-41(39)45)34-21-17-31-18-22-36(26-37(31)25-34)44-48-42(32-11-5-2-6-12-32)28-43(49-44)33-19-15-30(16-20-33)29-9-3-1-4-10-29/h1-28,43H,(H,48,49)
InChIKeyQMWYZHOTJMZKOL-UHFFFAOYSA-N
XLogP11.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 511.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine (CID 135247147) is 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine is FC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(C5=NC(c6ccc(-c7ccccc7)cc6)C=C(c6ccccc6)N5)cc4c3)cc21.
What is the InChIKey of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine?
The InChIKey is QMWYZHOTJMZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30F2N2/c46-45(47)40-14-8-7-13-38(40)39-24-23-35(27-41(39)45)34-21-17-31-18-22-36(26-37(31)25-34)44-48-42(32-11-5-2-6-12-32)28-43(49-44)33-19-15-30(16-20-33)29-9-3-1-4-10-29/h1-28,43H,(H,48,49).
What are the key properties of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine?
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine has a molecular weight of 636.75 g/mol, XLogP of 11.43, 5 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]-6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 135247147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).