6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene

C28H30 — CID 156646943

IUPAC6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene
SMILESC/C=C\c1c(CC)ccc2c1-c1cc(-c3ccccc3C)c(C)cc1C2(C)C
InChIInChI=1S/C28H30/c1-7-11-22-20(8-2)14-15-25-27(22)24-17-23(21-13-10-9-12-18(21)3)19(4)16-26(24)28(25,5)6/h7,9-17H,8H2,1-6H3/b11-7-
InChIKeyIYNKBWXTZZEAMP-XFFZJAGNSA-N
MW366.55 g/mol
LogP7.87
Rot. Bonds3

About 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene

6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene (PubChem CID 156646943) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene.

Molecular Properties

Compound Name6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene
PubChem CID156646943
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene
SMILESC/C=C\c1c(CC)ccc2c1-c1cc(-c3ccccc3C)c(C)cc1C2(C)C
InChIInChI=1S/C28H30/c1-7-11-22-20(8-2)14-15-25-27(22)24-17-23(21-13-10-9-12-18(21)3)19(4)16-26(24)28(25,5)6/h7,9-17H,8H2,1-6H3/b11-7-
InChIKeyIYNKBWXTZZEAMP-XFFZJAGNSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2-ethylphenyl)-2,9,9-trimethylfluorene
CID 148907412
4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
CID 145322301
2-ethyl-3-(2-methylphenyl)naphthalene
CID 148544062
3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 87181195
7,9,9-trimethyl-6-(2-methylphenyl)-2,3-dihydrofluorene
CID 145017109
ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene
CID 90727526
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
2,5-diethyl-4-(2-methylphenyl)-1H-indene
CID 87702914
9-methyl-9-[2-(2-methylphenyl)phenyl]fluorene;propane
CID 142961405
2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
CID 145324578
3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene
CID 144614661

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene?
The IUPAC name of 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene (CID 156646943) is 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene.
What is the SMILES notation for 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene?
The canonical SMILES for 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene is C/C=C\c1c(CC)ccc2c1-c1cc(-c3ccccc3C)c(C)cc1C2(C)C.
What is the InChIKey of 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene?
The InChIKey is IYNKBWXTZZEAMP-XFFZJAGNSA-N. The full InChI is InChI=1S/C28H30/c1-7-11-22-20(8-2)14-15-25-27(22)24-17-23(21-13-10-9-12-18(21)3)19(4)16-26(24)28(25,5)6/h7,9-17H,8H2,1-6H3/b11-7-.
What are the key properties of 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene?
6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene has a molecular weight of 366.55 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene is sourced from PubChem (CID 156646943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).