4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline

C33H36N2 — CID 18624396

IUPAC4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline
SMILESCCc1cc(C2(c3cc(CC)c(N)cc3CC)c3ccccc3-c3ccccc32)c(CC)cc1N
InChIInChI=1S/C33H36N2/c1-5-21-19-31(34)23(7-3)17-29(21)33(30-18-24(8-4)32(35)20-22(30)6-2)27-15-11-9-13-25(27)26-14-10-12-16-28(26)33/h9-20H,5-8,34-35H2,1-4H3
InChIKeyLGKFNISVWCODEP-UHFFFAOYSA-N
MW460.67 g/mol
LogP7.46
Rot. Bonds6

About 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline

4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline (PubChem CID 18624396) has the molecular formula C33H36N2 and a molecular weight of 460.67 g/mol. Its IUPAC name is 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline.

Molecular Properties

Compound Name4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline
PubChem CID18624396
Molecular FormulaC33H36N2
Molecular Weight460.67 g/mol
Exact Mass460.29
IUPAC Name4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline
SMILESCCc1cc(C2(c3cc(CC)c(N)cc3CC)c3ccccc3-c3ccccc32)c(CC)cc1N
InChIInChI=1S/C33H36N2/c1-5-21-19-31(34)23(7-3)17-29(21)33(30-18-24(8-4)32(35)20-22(30)6-2)27-15-11-9-13-25(27)26-14-10-12-16-28(26)33/h9-20H,5-8,34-35H2,1-4H3
InChIKeyLGKFNISVWCODEP-UHFFFAOYSA-N
XLogP7.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 23136689
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]
CID 157350027
4-chloro-5-(2-chlorophenyl)-2-ethylaniline
CID 90462567
5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
CID 147955963
2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 154338119
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
CID 145141173
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
9,9-diphenylfluorene;propane
CID 158205050
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline?
The IUPAC name of 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline (CID 18624396) is 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline.
What is the SMILES notation for 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline?
The canonical SMILES for 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline is CCc1cc(C2(c3cc(CC)c(N)cc3CC)c3ccccc3-c3ccccc32)c(CC)cc1N.
What is the InChIKey of 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline?
The InChIKey is LGKFNISVWCODEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2/c1-5-21-19-31(34)23(7-3)17-29(21)33(30-18-24(8-4)32(35)20-22(30)6-2)27-15-11-9-13-25(27)26-14-10-12-16-28(26)33/h9-20H,5-8,34-35H2,1-4H3.
What are the key properties of 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline?
4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline has a molecular weight of 460.67 g/mol, XLogP of 7.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline is sourced from PubChem (CID 18624396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).