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

C36H27N — CID 165152145

IUPAC4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc3ccccc3c21
InChIInChI=1S/C36H27N/c1-36(2)31-20-12-11-19-29(31)34-30(21-26-17-9-10-18-28(26)35(34)36)27-22-32(24-13-5-3-6-14-24)37-33(23-27)25-15-7-4-8-16-25/h3-23H,1-2H3
InChIKeyFLUSZRGOLGMECR-UHFFFAOYSA-N
MW473.62 g/mol
LogP9.54
Rot. Bonds3

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

4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine (PubChem CID 165152145) has the molecular formula C36H27N and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
PubChem CID165152145
Molecular FormulaC36H27N
Molecular Weight473.62 g/mol
Exact Mass473.21
IUPAC Name4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc3ccccc3c21
InChIInChI=1S/C36H27N/c1-36(2)31-20-12-11-19-29(31)34-30(21-26-17-9-10-18-28(26)35(34)36)27-22-32(24-13-5-3-6-14-24)37-33(23-27)25-15-7-4-8-16-25/h3-23H,1-2H3
InChIKeyFLUSZRGOLGMECR-UHFFFAOYSA-N
XLogP9.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-(3,5-diphenylphenyl)-6-phenylpyridine
CID 165152041
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
CID 165152303
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962
2-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165152040
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
2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165152163
2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152267
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4,6-diphenylpyrimidine
CID 170410073
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1-carbonitrile
CID 165152296

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine?
The IUPAC name of 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine (CID 165152145) is 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine.
What is the SMILES notation for 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine?
The canonical SMILES for 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine is CC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc3ccccc3c21.
What is the InChIKey of 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine?
The InChIKey is FLUSZRGOLGMECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N/c1-36(2)31-20-12-11-19-29(31)34-30(21-26-17-9-10-18-28(26)35(34)36)27-22-32(24-13-5-3-6-14-24)37-33(23-27)25-15-7-4-8-16-25/h3-23H,1-2H3.
What are the key properties of 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine?
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine has a molecular weight of 473.62 g/mol, XLogP of 9.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine is sourced from PubChem (CID 165152145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).