2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine

C31H16F6N2 — CID 88890948

IUPAC2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(C(F)(F)F)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1
InChIInChI=1S/C31H16F6N2/c32-30(33,34)26-16-27(31(35,36)37)39-28(38-26)17-13-14-21-20-9-3-6-12-24(20)29(25(21)15-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)29/h1-16H
InChIKeyXNXPFHHVFBVURE-UHFFFAOYSA-N
MW530.47 g/mol
LogP8.52
Rot. Bonds1

About 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine

2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine (PubChem CID 88890948) has the molecular formula C31H16F6N2 and a molecular weight of 530.47 g/mol. Its IUPAC name is 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine
PubChem CID88890948
Molecular FormulaC31H16F6N2
Molecular Weight530.47 g/mol
Exact Mass530.12
IUPAC Name2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(C(F)(F)F)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1
InChIInChI=1S/C31H16F6N2/c32-30(33,34)26-16-27(31(35,36)37)39-28(38-26)17-13-14-21-20-9-3-6-12-24(20)29(25(21)15-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)29/h1-16H
InChIKeyXNXPFHHVFBVURE-UHFFFAOYSA-N
XLogP8.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.47
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2,4-dipyridin-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130267940
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321

Frequently Asked Questions

What is the IUPAC name of 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine (CID 88890948) is 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(C(F)(F)F)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.
What is the InChIKey of 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine?
The InChIKey is XNXPFHHVFBVURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16F6N2/c32-30(33,34)26-16-27(31(35,36)37)39-28(38-26)17-13-14-21-20-9-3-6-12-24(20)29(25(21)15-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)29/h1-16H.
What are the key properties of 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine?
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine has a molecular weight of 530.47 g/mol, XLogP of 8.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine is sourced from PubChem (CID 88890948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).