2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene

C27H38 — CID 59378942

IUPAC2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
SMILESCCC(C)CCC1(CCC(C)CC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C27H38/c1-7-19(3)13-15-27(16-14-20(4)8-2)25-17-21(5)9-11-23(25)24-12-10-22(6)18-26(24)27/h9-12,17-20H,7-8,13-16H2,1-6H3
InChIKeyQIASQRGIFQTXJT-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.22
Rot. Bonds8

About 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene

2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene (PubChem CID 59378942) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene.

Molecular Properties

Compound Name2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
PubChem CID59378942
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
SMILESCCC(C)CCC1(CCC(C)CC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C27H38/c1-7-19(3)13-15-27(16-14-20(4)8-2)25-17-21(5)9-11-23(25)24-12-10-22(6)18-26(24)27/h9-12,17-20H,7-8,13-16H2,1-6H3
InChIKeyQIASQRGIFQTXJT-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
CID 59512850
2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene
CID 58648648
2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
CID 23568230
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
2-[9,9-bis(2-methylbutyl)-7-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]fluoren-2-yl]-7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028080
butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene
CID 143365607
9,9-bis[(5S)-5-methylheptyl]fluorene
CID 101194552
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene
CID 59027602
2',7'-dimethyl-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene]
CID 58544758
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene?
The IUPAC name of 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene (CID 59378942) is 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene.
What is the SMILES notation for 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene?
The canonical SMILES for 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene is CCC(C)CCC1(CCC(C)CC)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene?
The InChIKey is QIASQRGIFQTXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38/c1-7-19(3)13-15-27(16-14-20(4)8-2)25-17-21(5)9-11-23(25)24-12-10-22(6)18-26(24)27/h9-12,17-20H,7-8,13-16H2,1-6H3.
What are the key properties of 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene?
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene has a molecular weight of 362.60 g/mol, XLogP of 8.22, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene is sourced from PubChem (CID 59378942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).