2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine

C34H31N — CID 144613339

IUPAC2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine
SMILESCCC1(CC)c2cc(-c3cc(C)cc(-c4ccccn4)c3)ccc2-c2c1cc(C)c1ccccc21
InChIInChI=1S/C34H31N/c1-5-34(6-2)30-21-24(25-17-22(3)18-26(20-25)32-13-9-10-16-35-32)14-15-29(30)33-28-12-8-7-11-27(28)23(4)19-31(33)34/h7-21H,5-6H2,1-4H3
InChIKeyWQCARRDFCKTMLY-UHFFFAOYSA-N
MW453.63 g/mol
LogP9.27
Rot. Bonds4

About 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine

2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine (PubChem CID 144613339) has the molecular formula C34H31N and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine
PubChem CID144613339
Molecular FormulaC34H31N
Molecular Weight453.63 g/mol
Exact Mass453.25
IUPAC Name2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine
SMILESCCC1(CC)c2cc(-c3cc(C)cc(-c4ccccn4)c3)ccc2-c2c1cc(C)c1ccccc21
InChIInChI=1S/C34H31N/c1-5-34(6-2)30-21-24(25-17-22(3)18-26(20-25)32-13-9-10-16-35-32)14-15-29(30)33-28-12-8-7-11-27(28)23(4)19-31(33)34/h7-21H,5-6H2,1-4H3
InChIKeyWQCARRDFCKTMLY-UHFFFAOYSA-N
XLogP9.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene
CID 144614028
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
2-[3-(7-methyltriphenylen-2-yl)-5-pyridin-2-ylphenyl]pyridine
CID 145180167
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
CID 141483257
2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
CID 58880878
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 59221309
9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene
CID 144613144
1-(22,22-diethyl-5-methyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16(21),17,19,24-dodecaenyl)isoquinoline
CID 140842090
2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
CID 59195620
2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine
CID 156551184

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine?
The IUPAC name of 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine (CID 144613339) is 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine.
What is the SMILES notation for 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine?
The canonical SMILES for 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine is CCC1(CC)c2cc(-c3cc(C)cc(-c4ccccn4)c3)ccc2-c2c1cc(C)c1ccccc21.
What is the InChIKey of 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine?
The InChIKey is WQCARRDFCKTMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N/c1-5-34(6-2)30-21-24(25-17-22(3)18-26(20-25)32-13-9-10-16-35-32)14-15-29(30)33-28-12-8-7-11-27(28)23(4)19-31(33)34/h7-21H,5-6H2,1-4H3.
What are the key properties of 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine?
2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine has a molecular weight of 453.63 g/mol, XLogP of 9.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine is sourced from PubChem (CID 144613339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).