4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine

C29H17ClF2N2 — CID 134271936

IUPAC4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine
SMILESFC1(F)c2cc(Cl)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C29H17ClF2N2/c30-21-12-14-23-22-13-11-20(15-24(22)29(31,32)25(23)16-21)27-17-26(18-7-3-1-4-8-18)33-28(34-27)19-9-5-2-6-10-19/h1-17H
InChIKeyKIRHCEPLXQVSPD-UHFFFAOYSA-N
MW466.92 g/mol
LogP8.25
Rot. Bonds3

About 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine

4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine (PubChem CID 134271936) has the molecular formula C29H17ClF2N2 and a molecular weight of 466.92 g/mol. Its IUPAC name is 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine
PubChem CID134271936
Molecular FormulaC29H17ClF2N2
Molecular Weight466.92 g/mol
Exact Mass466.10
IUPAC Name4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine
SMILESFC1(F)c2cc(Cl)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C29H17ClF2N2/c30-21-12-14-23-22-13-11-20(15-24(22)29(31,32)25(23)16-21)27-17-26(18-7-3-1-4-8-18)33-28(34-27)19-9-5-2-6-10-19/h1-17H
InChIKeyKIRHCEPLXQVSPD-UHFFFAOYSA-N
XLogP8.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.92
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine (CID 134271936) is 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine is FC1(F)c2cc(Cl)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine?
The InChIKey is KIRHCEPLXQVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17ClF2N2/c30-21-12-14-23-22-13-11-20(15-24(22)29(31,32)25(23)16-21)27-17-26(18-7-3-1-4-8-18)33-28(34-27)19-9-5-2-6-10-19/h1-17H.
What are the key properties of 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine?
4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine has a molecular weight of 466.92 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 134271936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).