4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

C66H43FN2O — CID 118148982

IUPAC4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ccc(N(c3ccccc3)c3ccccc3)cc2O5)cc1
InChIInChI=1S/C66H43FN2O/c67-62-40-47(44-19-6-1-7-20-44)39-58(45-21-8-2-9-22-45)66(62)69(50-27-14-5-15-28-50)51-35-33-46(34-36-51)57-42-60-56-31-18-32-63-65(56)61(43-59(60)54-30-17-16-29-53(54)57)55-38-37-52(41-64(55)70-63)68(48-23-10-3-11-24-48)49-25-12-4-13-26-49/h1-43H
InChIKeyDLVHWWFBZCQRQX-UHFFFAOYSA-N
MW899.08 g/mol
LogP19.00
Rot. Bonds9

About 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (PubChem CID 118148982) has the molecular formula C66H43FN2O and a molecular weight of 899.08 g/mol. Its IUPAC name is 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.

Molecular Properties

Compound Name4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
PubChem CID118148982
Molecular FormulaC66H43FN2O
Molecular Weight899.08 g/mol
Exact Mass898.34
IUPAC Name4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ccc(N(c3ccccc3)c3ccccc3)cc2O5)cc1
InChIInChI=1S/C66H43FN2O/c67-62-40-47(44-19-6-1-7-20-44)39-58(45-21-8-2-9-22-45)66(62)69(50-27-14-5-15-28-50)51-35-33-46(34-36-51)57-42-60-56-31-18-32-63-65(56)61(43-59(60)54-30-17-16-29-53(54)57)55-38-37-52(41-64(55)70-63)68(48-23-10-3-11-24-48)49-25-12-4-13-26-49/h1-43H
InChIKeyDLVHWWFBZCQRQX-UHFFFAOYSA-N
XLogP19.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.08
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine 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-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The IUPAC name of 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (CID 118148982) is 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.
What is the SMILES notation for 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The canonical SMILES for 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ccc(N(c3ccccc3)c3ccccc3)cc2O5)cc1.
What is the InChIKey of 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The InChIKey is DLVHWWFBZCQRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43FN2O/c67-62-40-47(44-19-6-1-7-20-44)39-58(45-21-8-2-9-22-45)66(62)69(50-27-14-5-15-28-50)51-35-33-46(34-36-51)57-42-60-56-31-18-32-63-65(56)61(43-59(60)54-30-17-16-29-53(54)57)55-38-37-52(41-64(55)70-63)68(48-23-10-3-11-24-48)49-25-12-4-13-26-49/h1-43H.
What are the key properties of 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine has a molecular weight of 899.08 g/mol, XLogP of 19.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is sourced from PubChem (CID 118148982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).