4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine

C31H24N2 — CID 139366503

IUPAC4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C31H24N2/c1-31(2)26-16-10-9-15-24(26)25-18-17-23(19-27(25)31)29-20-28(21-11-5-3-6-12-21)32-30(33-29)22-13-7-4-8-14-22/h3-20H,1-2H3
InChIKeyNILAVRHBRAESSI-UHFFFAOYSA-N
MW424.55 g/mol
LogP7.78
Rot. Bonds3

About 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine

4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine (PubChem CID 139366503) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
PubChem CID139366503
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C31H24N2/c1-31(2)26-16-10-9-15-24(26)25-18-17-23(19-27(25)31)29-20-28(21-11-5-3-6-12-21)32-30(33-29)22-13-7-4-8-14-22/h3-20H,1-2H3
InChIKeyNILAVRHBRAESSI-UHFFFAOYSA-N
XLogP7.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
4-(9,9-dimethylfluoren-2-yl)-6-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1'-yl)phenyl]-2-phenylpyrimidine
CID 146495353
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenylaniline;N-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160636575
4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776847
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine (CID 139366503) is 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine?
The InChIKey is NILAVRHBRAESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2/c1-31(2)26-16-10-9-15-24(26)25-18-17-23(19-27(25)31)29-20-28(21-11-5-3-6-12-21)32-30(33-29)22-13-7-4-8-14-22/h3-20H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine?
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine has a molecular weight of 424.55 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 139366503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).