4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline

C55H64N2O2 — CID 68822887

IUPAC4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline
SMILESCC(C)c1cc(N)ccc1Oc1c(C(C)C)cc(C2(c3cc(C(C)C)c(Oc4ccc(N)cc4C(C)C)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)C
InChIInChI=1S/C55H64N2O2/c1-31(2)43-29-39(56)21-23-51(43)58-53-45(33(5)6)25-37(26-46(53)34(7)8)55(49-19-15-13-17-41(49)42-18-14-16-20-50(42)55)38-27-47(35(9)10)54(48(28-38)36(11)12)59-52-24-22-40(57)30-44(52)32(3)4/h13-36H,56-57H2,1-12H3
InChIKeyVNUUHCKUFLVKDK-UHFFFAOYSA-N
MW785.13 g/mol
LogP15.54
Rot. Bonds12

About 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline

4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline (PubChem CID 68822887) has the molecular formula C55H64N2O2 and a molecular weight of 785.13 g/mol. Its IUPAC name is 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline.

Molecular Properties

Compound Name4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline
PubChem CID68822887
Molecular FormulaC55H64N2O2
Molecular Weight785.13 g/mol
Exact Mass784.50
IUPAC Name4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline
SMILESCC(C)c1cc(N)ccc1Oc1c(C(C)C)cc(C2(c3cc(C(C)C)c(Oc4ccc(N)cc4C(C)C)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)C
InChIInChI=1S/C55H64N2O2/c1-31(2)43-29-39(56)21-23-51(43)58-53-45(33(5)6)25-37(26-46(53)34(7)8)55(49-19-15-13-17-41(49)42-18-14-16-20-50(42)55)38-27-47(35(9)10)54(48(28-38)36(11)12)59-52-24-22-40(57)30-44(52)32(3)4/h13-36H,56-57H2,1-12H3
InChIKeyVNUUHCKUFLVKDK-UHFFFAOYSA-N
XLogP15.54
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.13
LogP ≤ 515.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline with MolForge

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Related Compounds

4-[4-[9-[4-(4-amino-2-methylphenoxy)-3-propan-2-ylphenyl]fluoren-9-yl]-2-propan-2-ylphenoxy]-3-methylaniline
CID 67411542
4-[4-[9-[4-(4-aminophenoxy)-3,5-dimethoxyphenyl]fluoren-9-yl]-2,6-dimethoxyphenoxy]aniline
CID 167440366
3-[4-[9-[4-(3-amino-2-propan-2-ylphenoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-2-propan-2-ylaniline
CID 67408872
3-[4-[9-[4-[5-amino-2-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-4-(trifluoromethyl)aniline
CID 87389463
4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
CID 141181007
4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline
CID 67410970
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
CID 58142028
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
2-[4-[9-[4-[2-amino-6-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-3-(trifluoromethyl)aniline
CID 87388699
2-[4-[9-[4-(2-amino-4-methylphenoxy)phenyl]fluoren-9-yl]phenoxy]-5-methylaniline
CID 67411083
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline?
The IUPAC name of 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline (CID 68822887) is 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline.
What is the SMILES notation for 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline?
The canonical SMILES for 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline is CC(C)c1cc(N)ccc1Oc1c(C(C)C)cc(C2(c3cc(C(C)C)c(Oc4ccc(N)cc4C(C)C)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)C.
What is the InChIKey of 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline?
The InChIKey is VNUUHCKUFLVKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H64N2O2/c1-31(2)43-29-39(56)21-23-51(43)58-53-45(33(5)6)25-37(26-46(53)34(7)8)55(49-19-15-13-17-41(49)42-18-14-16-20-50(42)55)38-27-47(35(9)10)54(48(28-38)36(11)12)59-52-24-22-40(57)30-44(52)32(3)4/h13-36H,56-57H2,1-12H3.
What are the key properties of 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline?
4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline has a molecular weight of 785.13 g/mol, XLogP of 15.54, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-[4-(4-amino-2-propan-2-ylphenoxy)-3,5-di(propan-2-yl)phenyl]fluoren-9-yl]-2,6-di(propan-2-yl)phenoxy]-3-propan-2-ylaniline is sourced from PubChem (CID 68822887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).