9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene

C43H50O2 — CID 134370848

IUPAC9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
SMILESC=Cc1ccc(OCCCCCCC2(CCCCCCOc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C43H50O2/c1-5-35-17-21-37(22-18-35)44-29-13-9-7-11-27-43(28-12-8-10-14-30-45-38-23-19-36(6-2)20-24-38)41-31-33(3)15-25-39(41)40-26-16-34(4)32-42(40)43/h5-6,15-26,31-32H,1-2,7-14,27-30H2,3-4H3
InChIKeyISGXQNWYTJWGQD-UHFFFAOYSA-N
MW598.87 g/mol
LogP11.91
Rot. Bonds18

About 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene

9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene (PubChem CID 134370848) has the molecular formula C43H50O2 and a molecular weight of 598.87 g/mol. Its IUPAC name is 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
PubChem CID134370848
Molecular FormulaC43H50O2
Molecular Weight598.87 g/mol
Exact Mass598.38
IUPAC Name9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
SMILESC=Cc1ccc(OCCCCCCC2(CCCCCCOc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C43H50O2/c1-5-35-17-21-37(22-18-35)44-29-13-9-7-11-27-43(28-12-8-10-14-30-45-38-23-19-36(6-2)20-24-38)41-31-33(3)15-25-39(41)40-26-16-34(4)32-42(40)43/h5-6,15-26,31-32H,1-2,7-14,27-30H2,3-4H3
InChIKeyISGXQNWYTJWGQD-UHFFFAOYSA-N
XLogP11.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.87
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
2-(7-methyl-9,9-dioctylfluoren-2-yl)-5-(4-octoxyphenyl)thiophene
CID 71079155
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 59687234
2-decoxy-1,4-dimethylbenzene;9,9-didodecyl-2,7-dimethylfluorene
CID 123681817
2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene
CID 118654987
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene
CID 59136630
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
CID 102048532

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene (CID 134370848) is 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene is C=Cc1ccc(OCCCCCCC2(CCCCCCOc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.
What is the InChIKey of 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene?
The InChIKey is ISGXQNWYTJWGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50O2/c1-5-35-17-21-37(22-18-35)44-29-13-9-7-11-27-43(28-12-8-10-14-30-45-38-23-19-36(6-2)20-24-38)41-31-33(3)15-25-39(41)40-26-16-34(4)32-42(40)43/h5-6,15-26,31-32H,1-2,7-14,27-30H2,3-4H3.
What are the key properties of 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene?
9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene has a molecular weight of 598.87 g/mol, XLogP of 11.91, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene is sourced from PubChem (CID 134370848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).