2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine

C35H26N2 — CID 165151962

IUPAC2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc3ccccc3c21
InChIInChI=1S/C35H26N2/c1-35(2)29-20-12-11-19-27(29)32-28(21-25-17-9-10-18-26(25)33(32)35)34-36-30(23-13-5-3-6-14-23)22-31(37-34)24-15-7-4-8-16-24/h3-22H,1-2H3
InChIKeyYAPMBHCSMNNQDG-UHFFFAOYSA-N
MW474.61 g/mol
LogP8.94
Rot. Bonds3

About 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine

2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine (PubChem CID 165151962) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
PubChem CID165151962
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc3ccccc3c21
InChIInChI=1S/C35H26N2/c1-35(2)29-20-12-11-19-27(29)32-28(21-25-17-9-10-18-26(25)33(32)35)34-36-30(23-13-5-3-6-14-23)22-31(37-34)24-15-7-4-8-16-24/h3-22H,1-2H3
InChIKeyYAPMBHCSMNNQDG-UHFFFAOYSA-N
XLogP8.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165152040
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
CID 165152145
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 165152315
4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152263
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152267
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-(3,5-diphenylphenyl)-6-phenylpyridine
CID 165152041
2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
CID 165152303
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4,6-diphenylpyrimidine
CID 170410073
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165152163
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine (CID 165151962) is 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc3ccccc3c21.
What is the InChIKey of 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine?
The InChIKey is YAPMBHCSMNNQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-35(2)29-20-12-11-19-27(29)32-28(21-25-17-9-10-18-26(25)33(32)35)34-36-30(23-13-5-3-6-14-23)22-31(37-34)24-15-7-4-8-16-24/h3-22H,1-2H3.
What are the key properties of 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine?
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine has a molecular weight of 474.61 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 165151962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).