4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline

C43H40N2O2 — CID 67410970

IUPAC4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline
SMILESCCCc1cc(C2(c3ccc(Oc4ccc(N)cc4)c(CCC)c3)c3ccccc3-c3ccccc32)ccc1Oc1ccc(N)cc1
InChIInChI=1S/C43H40N2O2/c1-3-9-29-27-31(15-25-41(29)46-35-21-17-33(44)18-22-35)43(39-13-7-5-11-37(39)38-12-6-8-14-40(38)43)32-16-26-42(30(28-32)10-4-2)47-36-23-19-34(45)20-24-36/h5-8,11-28H,3-4,9-10,44-45H2,1-2H3
InChIKeyBQRLVRYTUIZCAX-UHFFFAOYSA-N
MW616.81 g/mol
LogP10.70
Rot. Bonds10

About 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline

4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline (PubChem CID 67410970) has the molecular formula C43H40N2O2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline
PubChem CID67410970
Molecular FormulaC43H40N2O2
Molecular Weight616.81 g/mol
Exact Mass616.31
IUPAC Name4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline
SMILESCCCc1cc(C2(c3ccc(Oc4ccc(N)cc4)c(CCC)c3)c3ccccc3-c3ccccc32)ccc1Oc1ccc(N)cc1
InChIInChI=1S/C43H40N2O2/c1-3-9-29-27-31(15-25-41(29)46-35-21-17-33(44)18-22-35)43(39-13-7-5-11-37(39)38-12-6-8-14-40(38)43)32-16-26-42(30(28-32)10-4-2)47-36-23-19-34(45)20-24-36/h5-8,11-28H,3-4,9-10,44-45H2,1-2H3
InChIKeyBQRLVRYTUIZCAX-UHFFFAOYSA-N
XLogP10.70
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 510.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[9-[4-(4-aminophenoxy)-3,5-dimethoxyphenyl]fluoren-9-yl]-2,6-dimethoxyphenoxy]aniline
CID 167440366
2-[4-[9-[4-(2-amino-4-methylphenoxy)phenyl]fluoren-9-yl]phenoxy]-5-methylaniline
CID 67411083
4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline
CID 19025155
2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 18410576
4-[4-[9-[4-(4-amino-2-methylphenoxy)-3-propan-2-ylphenyl]fluoren-9-yl]-2-propan-2-ylphenoxy]-3-methylaniline
CID 67411542
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol
CID 165155320
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
3-[4-[9-[4-[5-amino-2-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-4-(trifluoromethyl)aniline
CID 87389463
3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline
CID 162169591
4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline
CID 139669163

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline?
The IUPAC name of 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline (CID 67410970) is 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline.
What is the SMILES notation for 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline?
The canonical SMILES for 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline is CCCc1cc(C2(c3ccc(Oc4ccc(N)cc4)c(CCC)c3)c3ccccc3-c3ccccc32)ccc1Oc1ccc(N)cc1.
What is the InChIKey of 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline?
The InChIKey is BQRLVRYTUIZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N2O2/c1-3-9-29-27-31(15-25-41(29)46-35-21-17-33(44)18-22-35)43(39-13-7-5-11-37(39)38-12-6-8-14-40(38)43)32-16-26-42(30(28-32)10-4-2)47-36-23-19-34(45)20-24-36/h5-8,11-28H,3-4,9-10,44-45H2,1-2H3.
What are the key properties of 4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline?
4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline has a molecular weight of 616.81 g/mol, XLogP of 10.70, 10 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-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline is sourced from PubChem (CID 67410970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).