9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene

C35H46 — CID 140661828

IUPAC9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene
SMILESCCCCCCc1cccc(C2(CC(CC)CCCC)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C35H46/c1-6-9-11-12-15-29-16-13-17-30(24-29)35(25-28(8-3)14-10-7-2)33-22-26(4)18-20-31(33)32-21-19-27(5)23-34(32)35/h13,16-24,28H,6-12,14-15,25H2,1-5H3
InChIKeyQDGDMKMMHMGIRC-UHFFFAOYSA-N
MW466.75 g/mol
LogP10.35
Rot. Bonds12

About 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene

9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene (PubChem CID 140661828) has the molecular formula C35H46 and a molecular weight of 466.75 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene
PubChem CID140661828
Molecular FormulaC35H46
Molecular Weight466.75 g/mol
Exact Mass466.36
IUPAC Name9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene
SMILESCCCCCCc1cccc(C2(CC(CC)CCCC)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C35H46/c1-6-9-11-12-15-29-16-13-17-30(24-29)35(25-28(8-3)14-10-7-2)33-22-26(4)18-20-31(33)32-21-19-27(5)23-34(32)35/h13,16-24,28H,6-12,14-15,25H2,1-5H3
InChIKeyQDGDMKMMHMGIRC-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
CID 158736272
2-[9,9-bis(4-hexylphenyl)-7-methylfluoren-2-yl]-9,9-bis(3-hexylphenyl)-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 140591814
9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene
CID 58833536
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
9-(3-tert-butylphenyl)-2,7,9-trimethylfluorene;bis(9-(3,5-dimethylphenyl)-2,7,9-trimethylfluorene);9-[4-(2-ethoxyethoxy)phenyl]-2,7,9-trimethylfluorene;9-(2-ethylhexyl)-2,7-dimethyl-9-(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene
CID 161024505
2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene
CID 91429357
4-[4-[9-(3-hexylphenyl)-4-isocyano-2,7-dimethylfluoren-9-yl]butyl]-1-N,2-N-dimethylbenzene-1,2-diamine
CID 157482198
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967
ethane;1-methyl-3-pentylbenzene
CID 143267779
3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene
CID 58876415
1,3-di(tetradecyl)benzene
CID 91053224
9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene
CID 58371170

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene (CID 140661828) is 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene is CCCCCCc1cccc(C2(CC(CC)CCCC)c3cc(C)ccc3-c3ccc(C)cc32)c1.
What is the InChIKey of 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene?
The InChIKey is QDGDMKMMHMGIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46/c1-6-9-11-12-15-29-16-13-17-30(24-29)35(25-28(8-3)14-10-7-2)33-22-26(4)18-20-31(33)32-21-19-27(5)23-34(32)35/h13,16-24,28H,6-12,14-15,25H2,1-5H3.
What are the key properties of 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene?
9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene has a molecular weight of 466.75 g/mol, XLogP of 10.35, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 140661828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).