2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine

C53H32F2N4 — CID 134271762

IUPAC2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5ccccc45)n3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4cccc5ccccc45)n3)ccc21
InChIInChI=1S/C53H32F2N4/c54-53(55)45-27-25-37(51-56-47(35-15-3-1-4-16-35)31-49(58-51)41-23-11-19-33-13-7-9-21-39(33)41)29-43(45)44-30-38(26-28-46(44)53)52-57-48(36-17-5-2-6-18-36)32-50(59-52)42-24-12-20-34-14-8-10-22-40(34)42/h1-32H
InChIKeyDVRHAKUHZRVNGM-UHFFFAOYSA-N
MW762.86 g/mol
LogP13.70
Rot. Bonds6

About 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine

2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine (PubChem CID 134271762) has the molecular formula C53H32F2N4 and a molecular weight of 762.86 g/mol. Its IUPAC name is 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
PubChem CID134271762
Molecular FormulaC53H32F2N4
Molecular Weight762.86 g/mol
Exact Mass762.26
IUPAC Name2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5ccccc45)n3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4cccc5ccccc45)n3)ccc21
InChIInChI=1S/C53H32F2N4/c54-53(55)45-27-25-37(51-56-47(35-15-3-1-4-16-35)31-49(58-51)41-23-11-19-33-13-7-9-21-39(33)41)29-43(45)44-30-38(26-28-46(44)53)52-57-48(36-17-5-2-6-18-36)32-50(59-52)42-24-12-20-34-14-8-10-22-40(34)42/h1-32H
InChIKeyDVRHAKUHZRVNGM-UHFFFAOYSA-N
XLogP13.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.86
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The IUPAC name of 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine (CID 134271762) is 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The canonical SMILES for 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine is FC1(F)c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5ccccc45)n3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4cccc5ccccc45)n3)ccc21.
What is the InChIKey of 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The InChIKey is DVRHAKUHZRVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32F2N4/c54-53(55)45-27-25-37(51-56-47(35-15-3-1-4-16-35)31-49(58-51)41-23-11-19-33-13-7-9-21-39(33)41)29-43(45)44-30-38(26-28-46(44)53)52-57-48(36-17-5-2-6-18-36)32-50(59-52)42-24-12-20-34-14-8-10-22-40(34)42/h1-32H.
What are the key properties of 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine has a molecular weight of 762.86 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine is sourced from PubChem (CID 134271762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).