4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine

C54H39N — CID 165152303

IUPAC4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)c4)c3)cc3ccccc3c21
InChIInChI=1S/C54H39N/c1-54(2)49-29-12-11-28-47(49)52-48(33-42-20-9-10-27-46(42)53(52)54)41-24-13-23-40(30-41)45-34-50(43-25-14-21-38(31-43)36-16-5-3-6-17-36)55-51(35-45)44-26-15-22-39(32-44)37-18-7-4-8-19-37/h3-35H,1-2H3
InChIKeyCQDDAHHJTKVRKE-UHFFFAOYSA-N
MW701.91 g/mol
LogP14.54
Rot. Bonds6

About 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine

4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine (PubChem CID 165152303) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine.

Molecular Properties

Compound Name4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
PubChem CID165152303
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC Name4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)c4)c3)cc3ccccc3c21
InChIInChI=1S/C54H39N/c1-54(2)49-29-12-11-28-47(49)52-48(33-42-20-9-10-27-46(42)53(52)54)41-24-13-23-40(30-41)45-34-50(43-25-14-21-38(31-43)36-16-5-3-6-17-36)55-51(35-45)44-26-15-22-39(32-44)37-18-7-4-8-19-37/h3-35H,1-2H3
InChIKeyCQDDAHHJTKVRKE-UHFFFAOYSA-N
XLogP14.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 514.54
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-(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
2-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165152040
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
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
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962
2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
CID 165152143
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992

Frequently Asked Questions

What is the IUPAC name of 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine?
The IUPAC name of 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine (CID 165152303) is 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine.
What is the SMILES notation for 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine?
The canonical SMILES for 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)c4)c3)cc3ccccc3c21.
What is the InChIKey of 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine?
The InChIKey is CQDDAHHJTKVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-54(2)49-29-12-11-28-47(49)52-48(33-42-20-9-10-27-46(42)53(52)54)41-24-13-23-40(30-41)45-34-50(43-25-14-21-38(31-43)36-16-5-3-6-17-36)55-51(35-45)44-26-15-22-39(32-44)37-18-7-4-8-19-37/h3-35H,1-2H3.
What are the key properties of 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine?
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine has a molecular weight of 701.91 g/mol, XLogP of 14.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine is sourced from PubChem (CID 165152303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).