4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline

C40H49N — CID 143848347

IUPAC4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc(C)cc3)ccc2-c2ccc(-c3ccc(N(C)C)cc3)cc21
InChIInChI=1S/C40H49N/c1-6-8-10-12-26-40(27-13-11-9-7-2)38-28-33(31-16-14-30(3)15-17-31)20-24-36(38)37-25-21-34(29-39(37)40)32-18-22-35(23-19-32)41(4)5/h14-25,28-29H,6-13,26-27H2,1-5H3
InChIKeySLCSMOZJMJNPGD-UHFFFAOYSA-N
MW543.84 g/mol
LogP11.60
Rot. Bonds13

About 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline

4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline (PubChem CID 143848347) has the molecular formula C40H49N and a molecular weight of 543.84 g/mol. Its IUPAC name is 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline
PubChem CID143848347
Molecular FormulaC40H49N
Molecular Weight543.84 g/mol
Exact Mass543.39
IUPAC Name4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc(C)cc3)ccc2-c2ccc(-c3ccc(N(C)C)cc3)cc21
InChIInChI=1S/C40H49N/c1-6-8-10-12-26-40(27-13-11-9-7-2)38-28-33(31-16-14-30(3)15-17-31)20-24-36(38)37-25-21-34(29-39(37)40)32-18-22-35(23-19-32)41(4)5/h14-25,28-29H,6-13,26-27H2,1-5H3
InChIKeySLCSMOZJMJNPGD-UHFFFAOYSA-N
XLogP11.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.84
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
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
N'-[5-[9-[5-[bis[3-(dimethylamino)propyl]amino]pentyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluoren-9-yl]pentyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 121289267
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
2,7-bis(4-methylphenyl)-9,9-dioctylfluorene;1,4-dimethyl-2,5-dioctoxybenzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 158441043
5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine
CID 58904109
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline (CID 143848347) is 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline is CCCCCCC1(CCCCCC)c2cc(-c3ccc(C)cc3)ccc2-c2ccc(-c3ccc(N(C)C)cc3)cc21.
What is the InChIKey of 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline?
The InChIKey is SLCSMOZJMJNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N/c1-6-8-10-12-26-40(27-13-11-9-7-2)38-28-33(31-16-14-30(3)15-17-31)20-24-36(38)37-25-21-34(29-39(37)40)32-18-22-35(23-19-32)41(4)5/h14-25,28-29H,6-13,26-27H2,1-5H3.
What are the key properties of 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline?
4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline has a molecular weight of 543.84 g/mol, XLogP of 11.60, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 143848347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).