3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene

C28H22 — CID 145017041

IUPAC3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene
SMILESC=Cc1ccccc1-c1cc(-c2ccc3c(c2)-c2ccccc2C3)ccc1C
InChIInChI=1S/C28H22/c1-3-20-8-4-6-10-25(20)27-17-21(13-12-19(27)2)22-14-15-24-16-23-9-5-7-11-26(23)28(24)18-22/h3-15,17-18H,1,16H2,2H3
InChIKeyVBQVPVPNCJKHNX-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.54
Rot. Bonds3

About 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene

3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene (PubChem CID 145017041) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene.

Molecular Properties

Compound Name3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene
PubChem CID145017041
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene
SMILESC=Cc1ccccc1-c1cc(-c2ccc3c(c2)-c2ccccc2C3)ccc1C
InChIInChI=1S/C28H22/c1-3-20-8-4-6-10-25(20)27-17-21(13-12-19(27)2)22-14-15-24-16-23-9-5-7-11-26(23)28(24)18-22/h3-15,17-18H,1,16H2,2H3
InChIKeyVBQVPVPNCJKHNX-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
CID 145108730
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene
CID 143283019
1-methyl-6-phenyl-9H-fluorene
CID 157259892
ethene;9H-fluorene
CID 159544077
4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline
CID 174895808
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene?
The IUPAC name of 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene (CID 145017041) is 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene.
What is the SMILES notation for 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene?
The canonical SMILES for 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene is C=Cc1ccccc1-c1cc(-c2ccc3c(c2)-c2ccccc2C3)ccc1C.
What is the InChIKey of 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene?
The InChIKey is VBQVPVPNCJKHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-3-20-8-4-6-10-25(20)27-17-21(13-12-19(27)2)22-14-15-24-16-23-9-5-7-11-26(23)28(24)18-22/h3-15,17-18H,1,16H2,2H3.
What are the key properties of 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene?
3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene has a molecular weight of 358.48 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene is sourced from PubChem (CID 145017041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).