9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene

C35H38 — CID 123424959

IUPAC9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene
SMILESCCc1cc(CC)cc(C2(c3cc(CC)cc(CC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C35H38/c1-7-25-17-26(8-2)20-29(19-25)35(30-21-27(9-3)18-28(10-4)22-30)33-15-23(5)11-13-31(33)32-14-12-24(6)16-34(32)35/h11-22H,7-10H2,1-6H3
InChIKeyVXASCUOITRKAKC-UHFFFAOYSA-N
MW458.69 g/mol
LogP8.92
Rot. Bonds6

About 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene

9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene (PubChem CID 123424959) has the molecular formula C35H38 and a molecular weight of 458.69 g/mol. Its IUPAC name is 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene
PubChem CID123424959
Molecular FormulaC35H38
Molecular Weight458.69 g/mol
Exact Mass458.30
IUPAC Name9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene
SMILESCCc1cc(CC)cc(C2(c3cc(CC)cc(CC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C35H38/c1-7-25-17-26(8-2)20-29(19-25)35(30-21-27(9-3)18-28(10-4)22-30)33-15-23(5)11-13-31(33)32-14-12-24(6)16-34(32)35/h11-22H,7-10H2,1-6H3
InChIKeyVXASCUOITRKAKC-UHFFFAOYSA-N
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene (CID 123424959) is 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene is CCc1cc(CC)cc(C2(c3cc(CC)cc(CC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.
What is the InChIKey of 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene?
The InChIKey is VXASCUOITRKAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38/c1-7-25-17-26(8-2)20-29(19-25)35(30-21-27(9-3)18-28(10-4)22-30)33-15-23(5)11-13-31(33)32-14-12-24(6)16-34(32)35/h11-22H,7-10H2,1-6H3.
What are the key properties of 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene?
9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene has a molecular weight of 458.69 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 123424959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).