2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline

C51H40N2O2 — CID 139768943

IUPAC2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline
SMILESCc1cccc(Oc2ccc(C3(c4ccc(Oc5cccc(C)c5N)c(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc2-c2ccccc2)c1N
InChIInChI=1S/C51H40N2O2/c1-33-15-13-25-47(49(33)52)54-45-29-27-37(31-41(45)35-17-5-3-6-18-35)51(43-23-11-9-21-39(43)40-22-10-12-24-44(40)51)38-28-30-46(42(32-38)36-19-7-4-8-20-36)55-48-26-14-16-34(2)50(48)53/h3-32H,52-53H2,1-2H3
InChIKeyCDBCIOPIKKUOIO-UHFFFAOYSA-N
MW712.89 g/mol
LogP12.75
Rot. Bonds8

About 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline

2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline (PubChem CID 139768943) has the molecular formula C51H40N2O2 and a molecular weight of 712.89 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline.

Molecular Properties

Compound Name2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline
PubChem CID139768943
Molecular FormulaC51H40N2O2
Molecular Weight712.89 g/mol
Exact Mass712.31
IUPAC Name2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline
SMILESCc1cccc(Oc2ccc(C3(c4ccc(Oc5cccc(C)c5N)c(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc2-c2ccccc2)c1N
InChIInChI=1S/C51H40N2O2/c1-33-15-13-25-47(49(33)52)54-45-29-27-37(31-41(45)35-17-5-3-6-18-35)51(43-23-11-9-21-39(43)40-22-10-12-24-44(40)51)38-28-30-46(42(32-38)36-19-7-4-8-20-36)55-48-26-14-16-34(2)50(48)53/h3-32H,52-53H2,1-2H3
InChIKeyCDBCIOPIKKUOIO-UHFFFAOYSA-N
XLogP12.75
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.89
LogP ≤ 512.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[9-[4-(3-amino-2-propan-2-ylphenoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-2-propan-2-ylaniline
CID 67408872
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline
CID 159976538
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
CID 69231179
4-[4-[9-[4-(4-amino-2-methylphenoxy)-3-propan-2-ylphenyl]fluoren-9-yl]-2-propan-2-ylphenoxy]-3-methylaniline
CID 67411542
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 146666746
9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine
CID 139762357
2-[4-[9-[4-[2-amino-6-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-3-(trifluoromethyl)aniline
CID 87388699
3-[4-[9-[4-[5-amino-2-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-4-(trifluoromethyl)aniline
CID 87389463
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
[4-[9-[4-methoxy-3-(4-methylphenyl)phenyl]fluoren-9-yl]-2-(4-methylphenyl)phenyl] benzoate
CID 58752871
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline?
The IUPAC name of 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline (CID 139768943) is 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline.
What is the SMILES notation for 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline?
The canonical SMILES for 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline is Cc1cccc(Oc2ccc(C3(c4ccc(Oc5cccc(C)c5N)c(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc2-c2ccccc2)c1N.
What is the InChIKey of 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline?
The InChIKey is CDBCIOPIKKUOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2O2/c1-33-15-13-25-47(49(33)52)54-45-29-27-37(31-41(45)35-17-5-3-6-18-35)51(43-23-11-9-21-39(43)40-22-10-12-24-44(40)51)38-28-30-46(42(32-38)36-19-7-4-8-20-36)55-48-26-14-16-34(2)50(48)53/h3-32H,52-53H2,1-2H3.
What are the key properties of 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline?
2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline has a molecular weight of 712.89 g/mol, XLogP of 12.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline is sourced from PubChem (CID 139768943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).