9,9-dibutyl-2,7-di(propan-2-yl)fluorene

C27H38 — CID 153392949

IUPAC9,9-dibutyl-2,7-di(propan-2-yl)fluorene
SMILESCCCCC1(CCCC)c2cc(C(C)C)ccc2-c2ccc(C(C)C)cc21
InChIInChI=1S/C27H38/c1-7-9-15-27(16-10-8-2)25-17-21(19(3)4)11-13-23(25)24-14-12-22(20(5)6)18-26(24)27/h11-14,17-20H,7-10,15-16H2,1-6H3
InChIKeyVEGILVKKLFUJSI-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.58
Rot. Bonds8

About 9,9-dibutyl-2,7-di(propan-2-yl)fluorene

9,9-dibutyl-2,7-di(propan-2-yl)fluorene (PubChem CID 153392949) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 9,9-dibutyl-2,7-di(propan-2-yl)fluorene.

Molecular Properties

Compound Name9,9-dibutyl-2,7-di(propan-2-yl)fluorene
PubChem CID153392949
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name9,9-dibutyl-2,7-di(propan-2-yl)fluorene
SMILESCCCCC1(CCCC)c2cc(C(C)C)ccc2-c2ccc(C(C)C)cc21
InChIInChI=1S/C27H38/c1-7-9-15-27(16-10-8-2)25-17-21(19(3)4)11-13-23(25)24-14-12-22(20(5)6)18-26(24)27/h11-14,17-20H,7-10,15-16H2,1-6H3
InChIKeyVEGILVKKLFUJSI-UHFFFAOYSA-N
XLogP8.58
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 ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dibutyl-2,7-difluorofluorene
CID 139983199
2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene
CID 178181307
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
9,9-dibutyl-2,7-bis[(E)-2-(4-methylphenyl)ethenyl]fluorene
CID 122221081
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074
10,10-dibutylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
CID 102139289
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
bis(9,9-dibutylfluoren-2-yl)borinic acid
CID 140671651
(9,9-dioctyl-7-trimethylboranuidylfluoren-2-yl)-trimethylboranuide
CID 101466054
2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one
CID 155647575
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-2,7-di(propan-2-yl)fluorene?
The IUPAC name of 9,9-dibutyl-2,7-di(propan-2-yl)fluorene (CID 153392949) is 9,9-dibutyl-2,7-di(propan-2-yl)fluorene.
What is the SMILES notation for 9,9-dibutyl-2,7-di(propan-2-yl)fluorene?
The canonical SMILES for 9,9-dibutyl-2,7-di(propan-2-yl)fluorene is CCCCC1(CCCC)c2cc(C(C)C)ccc2-c2ccc(C(C)C)cc21.
What is the InChIKey of 9,9-dibutyl-2,7-di(propan-2-yl)fluorene?
The InChIKey is VEGILVKKLFUJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38/c1-7-9-15-27(16-10-8-2)25-17-21(19(3)4)11-13-23(25)24-14-12-22(20(5)6)18-26(24)27/h11-14,17-20H,7-10,15-16H2,1-6H3.
What are the key properties of 9,9-dibutyl-2,7-di(propan-2-yl)fluorene?
9,9-dibutyl-2,7-di(propan-2-yl)fluorene has a molecular weight of 362.60 g/mol, XLogP of 8.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-2,7-di(propan-2-yl)fluorene is sourced from PubChem (CID 153392949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).