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

C35H38 — CID 140599706

IUPAC9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene
SMILESCCc1ccc(CC)c(C2(c3cc(CC)ccc3CC)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C35H38/c1-7-25-13-15-27(9-3)31(21-25)35(32-22-26(8-2)14-16-28(32)10-4)33-19-23(5)11-17-29(33)30-18-12-24(6)20-34(30)35/h11-22H,7-10H2,1-6H3
InChIKeyUROWVIUKRRWKIW-UHFFFAOYSA-N
MW458.69 g/mol
LogP8.92
Rot. Bonds6

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

9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene (PubChem CID 140599706) has the molecular formula C35H38 and a molecular weight of 458.69 g/mol. Its IUPAC name is 9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene
PubChem CID140599706
Molecular FormulaC35H38
Molecular Weight458.69 g/mol
Exact Mass458.30
IUPAC Name9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene
SMILESCCc1ccc(CC)c(C2(c3cc(CC)ccc3CC)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C35H38/c1-7-25-13-15-27(9-3)31(21-25)35(32-22-26(8-2)14-16-28(32)10-4)33-19-23(5)11-17-29(33)30-18-12-24(6)20-34(30)35/h11-22H,7-10H2,1-6H3
InChIKeyUROWVIUKRRWKIW-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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Related Compounds

2-ethyl-7,9,9-trimethylfluorene
CID 59167125
2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
CID 59760556
9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene
CID 123424959
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
CID 140603360
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
2,7-diethyl-9,9-difluorofluorene
CID 67522725
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine
CID 163763499
2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane
CID 158619451
N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)
CID 162201346
CID 58607554
CID 58607554

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene (CID 140599706) is 9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene is CCc1ccc(CC)c(C2(c3cc(CC)ccc3CC)c3cc(C)ccc3-c3ccc(C)cc32)c1.
What is the InChIKey of 9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene?
The InChIKey is UROWVIUKRRWKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38/c1-7-25-13-15-27(9-3)31(21-25)35(32-22-26(8-2)14-16-28(32)10-4)33-19-23(5)11-17-29(33)30-18-12-24(6)20-34(30)35/h11-22H,7-10H2,1-6H3.
What are the key properties of 9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene?
9,9-bis(2,5-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(2,5-diethylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 140599706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).