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

C47H30F2N2 — CID 135247207

IUPAC6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccc6ccccc6c5)=NC(c5ccc6ccccc6c5)N4)c4ccccc34)cc21
InChIInChI=1S/C47H30F2N2/c48-47(49)42-16-8-7-15-39(42)40-22-21-33(27-43(40)47)36-23-24-41(38-14-6-5-13-37(36)38)45-28-44(34-19-17-29-9-1-3-11-31(29)25-34)50-46(51-45)35-20-18-30-10-2-4-12-32(30)26-35/h1-28,46,51H
InChIKeyHTBYPSNQXLZEBF-UHFFFAOYSA-N
MW660.77 g/mol
LogP12.07
Rot. Bonds4

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

6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine (PubChem CID 135247207) has the molecular formula C47H30F2N2 and a molecular weight of 660.77 g/mol. Its IUPAC name is 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine
PubChem CID135247207
Molecular FormulaC47H30F2N2
Molecular Weight660.77 g/mol
Exact Mass660.24
IUPAC Name6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccc6ccccc6c5)=NC(c5ccc6ccccc6c5)N4)c4ccccc34)cc21
InChIInChI=1S/C47H30F2N2/c48-47(49)42-16-8-7-15-39(42)40-22-21-33(27-43(40)47)36-23-24-41(38-14-6-5-13-37(36)38)45-28-44(34-19-17-29-9-1-3-11-31(29)25-34)50-46(51-45)35-20-18-30-10-2-4-12-32(30)26-35/h1-28,46,51H
InChIKeyHTBYPSNQXLZEBF-UHFFFAOYSA-N
XLogP12.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.77
LogP ≤ 512.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine?
The IUPAC name of 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine (CID 135247207) is 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine.
What is the SMILES notation for 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine?
The canonical SMILES for 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine is FC1(F)c2ccccc2-c2ccc(-c3ccc(C4=CC(c5ccc6ccccc6c5)=NC(c5ccc6ccccc6c5)N4)c4ccccc34)cc21.
What is the InChIKey of 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine?
The InChIKey is HTBYPSNQXLZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30F2N2/c48-47(49)42-16-8-7-15-39(42)40-22-21-33(27-43(40)47)36-23-24-41(38-14-6-5-13-37(36)38)45-28-44(34-19-17-29-9-1-3-11-31(29)25-34)50-46(51-45)35-20-18-30-10-2-4-12-32(30)26-35/h1-28,46,51H.
What are the key properties of 6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine?
6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-dinaphthalen-2-yl-1,2-dihydropyrimidine has a molecular weight of 660.77 g/mol, XLogP of 12.07, 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-dinaphthalen-2-yl-1,2-dihydropyrimidine is sourced from PubChem (CID 135247207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).