N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine

C68H45FN2O — CID 121295923

IUPACN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1ccc(-c2ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc2)cc13
InChIInChI=1S/C68H45FN2O/c69-63-44-52(46-19-6-1-7-20-46)43-61(49-23-10-3-11-24-49)68(63)71(54-27-14-5-15-28-54)56-39-40-58-62-42-51-34-33-50(41-60(51)59-30-18-32-65(67(59)62)72-66(58)45-56)47-35-37-55(38-36-47)70(53-25-12-4-13-26-53)64-31-17-16-29-57(64)48-21-8-2-9-22-48/h1-45H
InChIKeyWOBANFKQDRSIQM-UHFFFAOYSA-N
MW925.12 g/mol
LogP19.51
Rot. Bonds10

About N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine

N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine (PubChem CID 121295923) has the molecular formula C68H45FN2O and a molecular weight of 925.12 g/mol. Its IUPAC name is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine.

Molecular Properties

Compound NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
PubChem CID121295923
Molecular FormulaC68H45FN2O
Molecular Weight925.12 g/mol
Exact Mass924.35
IUPAC NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1ccc(-c2ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc2)cc13
InChIInChI=1S/C68H45FN2O/c69-63-44-52(46-19-6-1-7-20-46)43-61(49-23-10-3-11-24-49)68(63)71(54-27-14-5-15-28-54)56-39-40-58-62-42-51-34-33-50(41-60(51)59-30-18-32-65(67(59)62)72-66(58)45-56)47-35-37-55(38-36-47)70(53-25-12-4-13-26-53)64-31-17-16-29-57(64)48-21-8-2-9-22-48/h1-45H
InChIKeyWOBANFKQDRSIQM-UHFFFAOYSA-N
XLogP19.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.12
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?
The IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine (CID 121295923) is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine.
What is the SMILES notation for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?
The canonical SMILES for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1ccc(-c2ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc2)cc13.
What is the InChIKey of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?
The InChIKey is WOBANFKQDRSIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45FN2O/c69-63-44-52(46-19-6-1-7-20-46)43-61(49-23-10-3-11-24-49)68(63)71(54-27-14-5-15-28-54)56-39-40-58-62-42-51-34-33-50(41-60(51)59-30-18-32-65(67(59)62)72-66(58)45-56)47-35-37-55(38-36-47)70(53-25-12-4-13-26-53)64-31-17-16-29-57(64)48-21-8-2-9-22-48/h1-45H.
What are the key properties of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?
N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine has a molecular weight of 925.12 g/mol, XLogP of 19.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine is sourced from PubChem (CID 121295923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).