1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene

C30H36 — CID 142043230

IUPAC1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene
SMILESC=C.CC.CC.Cc1ccc(C#Cc2ccc3c(c2C)Cc2cc(C)ccc2-3)cc1
InChIInChI=1S/C24H20.2C2H6.C2H4/c1-16-4-7-19(8-5-16)9-10-20-11-13-23-22-12-6-17(2)14-21(22)15-24(23)18(20)3;3*1-2/h4-8,11-14H,15H2,1-3H3;2*1-2H3;1-2H2
InChIKeyMDSGOYRBWWYHKH-UHFFFAOYSA-N
MW396.62 g/mol
LogP8.44
Rot. Bonds

About 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene

1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene (PubChem CID 142043230) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene.

Molecular Properties

Compound Name1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene
PubChem CID142043230
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Name1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene
SMILESC=C.CC.CC.Cc1ccc(C#Cc2ccc3c(c2C)Cc2cc(C)ccc2-3)cc1
InChIInChI=1S/C24H20.2C2H6.C2H4/c1-16-4-7-19(8-5-16)9-10-20-11-13-23-22-12-6-17(2)14-21(22)15-24(23)18(20)3;3*1-2/h4-8,11-14H,15H2,1-3H3;2*1-2H3;1-2H2
InChIKeyMDSGOYRBWWYHKH-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-7-prop-1-ynyl-9H-fluorene
CID 90768512
2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene
CID 159175556
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
1,3,7-trimethyl-9H-fluorene
CID 59561098
[6-methyl-3-(2-phenylethynyl)-1H-inden-2-yl]-phenylmethanone
CID 24874262
butane;2,7-dimethyl-9H-fluorene;ethane;methane
CID 143631351
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
dichlorozirconium;2,7-dimethyl-9H-fluorene
CID 174320466
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 163621135
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 159931910

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene?
The IUPAC name of 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene (CID 142043230) is 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene.
What is the SMILES notation for 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene?
The canonical SMILES for 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene is C=C.CC.CC.Cc1ccc(C#Cc2ccc3c(c2C)Cc2cc(C)ccc2-3)cc1.
What is the InChIKey of 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene?
The InChIKey is MDSGOYRBWWYHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20.2C2H6.C2H4/c1-16-4-7-19(8-5-16)9-10-20-11-13-23-22-12-6-17(2)14-21(22)15-24(23)18(20)3;3*1-2/h4-8,11-14H,15H2,1-3H3;2*1-2H3;1-2H2.
What are the key properties of 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene?
1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene has a molecular weight of 396.62 g/mol, XLogP of 8.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene is sourced from PubChem (CID 142043230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).