7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene

C28H26 — CID 144614028

IUPAC7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene
SMILESCCC1(CC)c2cc(C)ccc2-c2c1cc(-c1ccccc1)c1ccccc21
InChIInChI=1S/C28H26/c1-4-28(5-2)25-17-19(3)15-16-23(25)27-22-14-10-9-13-21(22)24(18-26(27)28)20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3
InChIKeyADGZLIDXELTYAF-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.90
Rot. Bonds3

About 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene

7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene (PubChem CID 144614028) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene.

Molecular Properties

Compound Name7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene
PubChem CID144614028
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene
SMILESCCC1(CC)c2cc(C)ccc2-c2c1cc(-c1ccccc1)c1ccccc21
InChIInChI=1S/C28H26/c1-4-28(5-2)25-17-19(3)15-16-23(25)27-22-14-10-9-13-21(22)24(18-26(27)28)20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3
InChIKeyADGZLIDXELTYAF-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
CID 163799471
23,23-diethyl-20-(10-phenylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 123175409
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene
CID 144613144
CID 91043686
CID 91043686
N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline
CID 123296863
2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine
CID 144613339
2-[3-[3-(9,9-diethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[9-(4-methylphenyl)-9-phenylfluoren-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162051775
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene?
The IUPAC name of 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene (CID 144614028) is 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene.
What is the SMILES notation for 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene?
The canonical SMILES for 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene is CCC1(CC)c2cc(C)ccc2-c2c1cc(-c1ccccc1)c1ccccc21.
What is the InChIKey of 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene?
The InChIKey is ADGZLIDXELTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-4-28(5-2)25-17-19(3)15-16-23(25)27-22-14-10-9-13-21(22)24(18-26(27)28)20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3.
What are the key properties of 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene?
7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene has a molecular weight of 362.52 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene is sourced from PubChem (CID 144614028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).