ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene

C32H32 — CID 159904339

IUPACethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene
SMILESCC.CC.CC1(c2ccc(C#Cc3ccccc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H20.2C2H6/c1-28(26-13-7-5-11-24(26)25-12-6-8-14-27(25)28)23-19-17-22(18-20-23)16-15-21-9-3-2-4-10-21;2*1-2/h2-14,17-20H,1H3;2*1-2H3
InChIKeyNWJGKBZWMVFHBN-UHFFFAOYSA-N
MW416.61 g/mol
LogP8.47
Rot. Bonds1

About ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene

ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene (PubChem CID 159904339) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene.

Molecular Properties

Compound Nameethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene
PubChem CID159904339
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Nameethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene
SMILESCC.CC.CC1(c2ccc(C#Cc3ccccc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H20.2C2H6/c1-28(26-13-7-5-11-24(26)25-12-6-8-14-27(25)28)23-19-17-22(18-20-23)16-15-21-9-3-2-4-10-21;2*1-2/h2-14,17-20H,1H3;2*1-2H3
InChIKeyNWJGKBZWMVFHBN-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(4-fluorophenyl)-9-methylfluorene
CID 71401006
9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
CID 121288776
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline
CID 169293087
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
9-methyl-9-phenylfluoren-4-ol
CID 139484121
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
4-[9-(2-phenylethynyl)fluoren-9-yl]-N,N-bis[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]aniline
CID 146504426
9-(2-phenylethynyl)-9-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenoxy]phenyl]fluorene
CID 153299284
12,26-dimethyl-2,12,16,26-tetraphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6,8,10,14,16,18,20,22,24,27-tridecaene
CID 58142476
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
2-phenylethynylbenzene;hydrofluoride
CID 158259923

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene?
The IUPAC name of ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene (CID 159904339) is ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene.
What is the SMILES notation for ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene?
The canonical SMILES for ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene is CC.CC.CC1(c2ccc(C#Cc3ccccc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene?
The InChIKey is NWJGKBZWMVFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20.2C2H6/c1-28(26-13-7-5-11-24(26)25-12-6-8-14-27(25)28)23-19-17-22(18-20-23)16-15-21-9-3-2-4-10-21;2*1-2/h2-14,17-20H,1H3;2*1-2H3.
What are the key properties of ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene?
ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene has a molecular weight of 416.61 g/mol, XLogP of 8.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene is sourced from PubChem (CID 159904339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).