2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene

C41H38O — CID 118654987

IUPAC2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene
SMILESC=Cc1ccc(OCCc2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)ccc2-3)cc1
InChIInChI=1S/C41H38O/c1-7-27-9-14-31(15-10-27)42-21-20-28-11-17-33-35-19-13-30(25-39(35)41(5,6)37(33)23-28)29-12-18-34-32-16-8-26(2)22-36(32)40(3,4)38(34)24-29/h7-19,22-25H,1,20-21H2,2-6H3
InChIKeyAUEOZIXQFIMFMF-UHFFFAOYSA-N
MW546.75 g/mol
LogP10.54
Rot. Bonds6

About 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene

2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene (PubChem CID 118654987) has the molecular formula C41H38O and a molecular weight of 546.75 g/mol. Its IUPAC name is 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene.

Molecular Properties

Compound Name2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene
PubChem CID118654987
Molecular FormulaC41H38O
Molecular Weight546.75 g/mol
Exact Mass546.29
IUPAC Name2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene
SMILESC=Cc1ccc(OCCc2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)ccc2-3)cc1
InChIInChI=1S/C41H38O/c1-7-27-9-14-31(15-10-27)42-21-20-28-11-17-33-35-19-13-30(25-39(35)41(5,6)37(33)23-28)29-12-18-34-32-16-8-26(2)22-36(32)40(3,4)38(34)24-29/h7-19,22-25H,1,20-21H2,2-6H3
InChIKeyAUEOZIXQFIMFMF-UHFFFAOYSA-N
XLogP10.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.75
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
CID 134370848
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 59687234
2,7,9,9-tetramethylfluorene
CID 22951928
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155087117
2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol
CID 90398124
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
4-[3-[[4-[2-(4-ethenylphenyl)ethoxy]phenyl]methoxy]phenyl]-3-methylbenzaldehyde
CID 170409768
4-[9-[4-[[7-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-[4-(3-methylphenyl)phenyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]carbazol-3-yl]-N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-(3-methylphenyl)phenyl]aniline;N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[7-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine;methane
CID 159690184

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene?
The IUPAC name of 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene (CID 118654987) is 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene.
What is the SMILES notation for 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene?
The canonical SMILES for 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene is C=Cc1ccc(OCCc2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)ccc2-3)cc1.
What is the InChIKey of 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene?
The InChIKey is AUEOZIXQFIMFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38O/c1-7-27-9-14-31(15-10-27)42-21-20-28-11-17-33-35-19-13-30(25-39(35)41(5,6)37(33)23-28)29-12-18-34-32-16-8-26(2)22-36(32)40(3,4)38(34)24-29/h7-19,22-25H,1,20-21H2,2-6H3.
What are the key properties of 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene?
2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene has a molecular weight of 546.75 g/mol, XLogP of 10.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene is sourced from PubChem (CID 118654987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).