2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene

C35H54 — CID 148971086

IUPAC2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C(C)(C)CC)cc21
InChIInChI=1S/C35H54/c1-7-10-12-14-16-18-24-35(25-19-17-15-13-11-8-2)32-26-28(4)20-22-30(32)31-23-21-29(27-33(31)35)34(5,6)9-3/h20-23,26-27H,7-19,24-25H2,1-6H3
InChIKeyPTWOUEQTCZPOCE-UHFFFAOYSA-N
MW474.82 g/mol
LogP11.45
Rot. Bonds16

About 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene

2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene (PubChem CID 148971086) has the molecular formula C35H54 and a molecular weight of 474.82 g/mol. Its IUPAC name is 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene.

Molecular Properties

Compound Name2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
PubChem CID148971086
Molecular FormulaC35H54
Molecular Weight474.82 g/mol
Exact Mass474.42
IUPAC Name2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C(C)(C)CC)cc21
InChIInChI=1S/C35H54/c1-7-10-12-14-16-18-24-35(25-19-17-15-13-11-8-2)32-26-28(4)20-22-30(32)31-23-21-29(27-33(31)35)34(5,6)9-3/h20-23,26-27H,7-19,24-25H2,1-6H3
InChIKeyPTWOUEQTCZPOCE-UHFFFAOYSA-N
XLogP11.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 511.45
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

2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 143498644
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
CID 173488082
CID 173488082
9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
CID 58594781
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961
3-[3-[9,9-dihexyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-3-methylbutan-2-yl]-7-methyl-10-phenylphenoxazine
CID 126627534
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene;2,7-dimethyl-9-octyl-9H-fluorene
CID 159194802
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
N-(4-tert-butylphenyl)-N-[4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]phenyl]-4-methylaniline
CID 59431360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene?
The IUPAC name of 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene (CID 148971086) is 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene.
What is the SMILES notation for 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene?
The canonical SMILES for 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C(C)(C)CC)cc21.
What is the InChIKey of 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene?
The InChIKey is PTWOUEQTCZPOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54/c1-7-10-12-14-16-18-24-35(25-19-17-15-13-11-8-2)32-26-28(4)20-22-30(32)31-23-21-29(27-33(31)35)34(5,6)9-3/h20-23,26-27H,7-19,24-25H2,1-6H3.
What are the key properties of 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene?
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene has a molecular weight of 474.82 g/mol, XLogP of 11.45, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene is sourced from PubChem (CID 148971086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).