9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine

C34H45N — CID 155029255

IUPAC9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine
SMILESCCCCCCC1(CCCC)c2ccccc2-c2ccc(NC(CC)(CC)c3ccccc3)cc21
InChIInChI=1S/C34H45N/c1-5-9-11-17-25-33(24-10-6-2)31-21-16-15-20-29(31)30-23-22-28(26-32(30)33)35-34(7-3,8-4)27-18-13-12-14-19-27/h12-16,18-23,26,35H,5-11,17,24-25H2,1-4H3
InChIKeyIZEPRCUEOLBWEK-UHFFFAOYSA-N
MW467.74 g/mol
LogP10.24
Rot. Bonds13

About 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine

9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine (PubChem CID 155029255) has the molecular formula C34H45N and a molecular weight of 467.74 g/mol. Its IUPAC name is 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine.

Molecular Properties

Compound Name9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine
PubChem CID155029255
Molecular FormulaC34H45N
Molecular Weight467.74 g/mol
Exact Mass467.36
IUPAC Name9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine
SMILESCCCCCCC1(CCCC)c2ccccc2-c2ccc(NC(CC)(CC)c3ccccc3)cc21
InChIInChI=1S/C34H45N/c1-5-9-11-17-25-33(24-10-6-2)31-21-16-15-20-29(31)30-23-22-28(26-32(30)33)35-34(7-3,8-4)27-18-13-12-14-19-27/h12-16,18-23,26,35H,5-11,17,24-25H2,1-4H3
InChIKeyIZEPRCUEOLBWEK-UHFFFAOYSA-N
XLogP10.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine
CID 144821084
2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 143498644
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2,5-bis[(9,9-didodecylfluoren-2-yl)amino]terephthalic acid
CID 122396512
2-bromo-9,9-dihexylfluorene
CID 18674600
1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
2-ethenyl-9,9-dihexylfluorene
CID 86189845
2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102074609

Frequently Asked Questions

What is the IUPAC name of 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine?
The IUPAC name of 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine (CID 155029255) is 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine.
What is the SMILES notation for 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine?
The canonical SMILES for 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine is CCCCCCC1(CCCC)c2ccccc2-c2ccc(NC(CC)(CC)c3ccccc3)cc21.
What is the InChIKey of 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine?
The InChIKey is IZEPRCUEOLBWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N/c1-5-9-11-17-25-33(24-10-6-2)31-21-16-15-20-29(31)30-23-22-28(26-32(30)33)35-34(7-3,8-4)27-18-13-12-14-19-27/h12-16,18-23,26,35H,5-11,17,24-25H2,1-4H3.
What are the key properties of 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine?
9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine has a molecular weight of 467.74 g/mol, XLogP of 10.24, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-9-hexyl-N-(3-phenylpentan-3-yl)fluoren-2-amine is sourced from PubChem (CID 155029255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).