4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline

C43H40N2O2 — CID 139669163

IUPAC4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline
SMILESCc1cc(C2(c3cc(C)c(Oc4ccc(N)cc4)c(C)c3C)c3ccccc3-c3ccccc32)c(C)c(C)c1Oc1ccc(N)cc1
InChIInChI=1S/C43H40N2O2/c1-25-23-39(27(3)29(5)41(25)46-33-19-15-31(44)16-20-33)43(37-13-9-7-11-35(37)36-12-8-10-14-38(36)43)40-24-26(2)42(30(6)28(40)4)47-34-21-17-32(45)18-22-34/h7-24H,44-45H2,1-6H3
InChIKeySLNLTAZOYOXKNQ-UHFFFAOYSA-N
MW616.81 g/mol
LogP10.65
Rot. Bonds6

About 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline

4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline (PubChem CID 139669163) has the molecular formula C43H40N2O2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline
PubChem CID139669163
Molecular FormulaC43H40N2O2
Molecular Weight616.81 g/mol
Exact Mass616.31
IUPAC Name4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline
SMILESCc1cc(C2(c3cc(C)c(Oc4ccc(N)cc4)c(C)c3C)c3ccccc3-c3ccccc32)c(C)c(C)c1Oc1ccc(N)cc1
InChIInChI=1S/C43H40N2O2/c1-25-23-39(27(3)29(5)41(25)46-33-19-15-31(44)16-20-33)43(37-13-9-7-11-35(37)36-12-8-10-14-38(36)43)40-24-26(2)42(30(6)28(40)4)47-34-21-17-32(45)18-22-34/h7-24H,44-45H2,1-6H3
InChIKeySLNLTAZOYOXKNQ-UHFFFAOYSA-N
XLogP10.65
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 510.65
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'}

Analyze 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline?
The IUPAC name of 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline (CID 139669163) is 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline.
What is the SMILES notation for 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline?
The canonical SMILES for 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline is Cc1cc(C2(c3cc(C)c(Oc4ccc(N)cc4)c(C)c3C)c3ccccc3-c3ccccc32)c(C)c(C)c1Oc1ccc(N)cc1.
What is the InChIKey of 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline?
The InChIKey is SLNLTAZOYOXKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N2O2/c1-25-23-39(27(3)29(5)41(25)46-33-19-15-31(44)16-20-33)43(37-13-9-7-11-35(37)36-12-8-10-14-38(36)43)40-24-26(2)42(30(6)28(40)4)47-34-21-17-32(45)18-22-34/h7-24H,44-45H2,1-6H3.
What are the key properties of 4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline?
4-[4-[9-[4-(4-aminophenoxy)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline has a molecular weight of 616.81 g/mol, XLogP of 10.65, 6 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)-2,3,5-trimethylphenyl]fluoren-9-yl]-2,3,6-trimethylphenoxy]aniline is sourced from PubChem (CID 139669163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).