N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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

C68H42N2O3 — CID 121295928

About N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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 121295928) has the molecular formula C68H42N2O3 and a molecular weight of 935.10 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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 Name: N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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: 121295928
• Molecular Formula: C68H42N2O3
• Molecular Weight: 935.10 g/mol
• Exact Mass: 934.32
• IUPAC Name: N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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
• SMILES: c1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2c-3cc2ccc(-c3ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc3)cc24)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C68H42N2O3/c1-3-16-44(17-4-1)50-20-7-10-26-59(50)70(61-28-14-25-56-52-22-9-12-30-63(52)73-68(56)61)49-38-39-53-58-41-46-33-32-45(40-57(46)54-23-15-31-64(66(54)58)71-65(53)42-49)43-34-36-48(37-35-43)69(47-18-5-2-6-19-47)60-27-13-24-55-51-21-8-11-29-62(51)72-67(55)60/h1-42H
• InChIKey: OTYQNFSVWJUITO-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 41.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.10
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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 121295928) is N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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 c1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2c-3cc2ccc(-c3ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc3)cc24)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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 OTYQNFSVWJUITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2O3/c1-3-16-44(17-4-1)50-20-7-10-26-59(50)70(61-28-14-25-56-52-22-9-12-30-63(52)73-68(56)61)49-38-39-53-58-41-46-33-32-45(40-57(46)54-23-15-31-64(66(54)58)71-65(53)42-49)43-34-36-48(37-35-43)69(47-18-5-2-6-19-47)60-27-13-24-55-51-21-8-11-29-62(51)72-67(55)60/h1-42H.

What are the key properties of N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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 935.10 g/mol, XLogP of 19.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-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 121295928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).