4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline

C29H28N2 — CID 18624407

IUPAC4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline
SMILESCc1cc(N)cc(C)c1C1(c2c(C)cc(N)cc2C)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H28N2/c1-17-13-21(30)14-18(2)27(17)29(28-19(3)15-22(31)16-20(28)4)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-16H,30-31H2,1-4H3
InChIKeyLIMXCAUUJWJAEE-UHFFFAOYSA-N
MW404.56 g/mol
LogP6.45
Rot. Bonds2

About 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline

4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline (PubChem CID 18624407) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline
PubChem CID18624407
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC Name4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline
SMILESCc1cc(N)cc(C)c1C1(c2c(C)cc(N)cc2C)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H28N2/c1-17-13-21(30)14-18(2)27(17)29(28-19(3)15-22(31)16-20(28)4)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-16H,30-31H2,1-4H3
InChIKeyLIMXCAUUJWJAEE-UHFFFAOYSA-N
XLogP6.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 56.45
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

1',3'-dimethyl-9,9'-spirobi[fluorene]
CID 169054935
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
CID 58607554
CID 58607554
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline?
The IUPAC name of 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline (CID 18624407) is 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline.
What is the SMILES notation for 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline?
The canonical SMILES for 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline is Cc1cc(N)cc(C)c1C1(c2c(C)cc(N)cc2C)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline?
The InChIKey is LIMXCAUUJWJAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2/c1-17-13-21(30)14-18(2)27(17)29(28-19(3)15-22(31)16-20(28)4)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-16H,30-31H2,1-4H3.
What are the key properties of 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline?
4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline has a molecular weight of 404.56 g/mol, XLogP of 6.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline is sourced from PubChem (CID 18624407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).