N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine

C68H42N2O3 — CID 121295952

About N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine

N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine (PubChem CID 121295952) has the molecular formula C68H42N2O3 and a molecular weight of 935.10 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine
• PubChem CID: 121295952
• Molecular Formula: C68H42N2O3
• Molecular Weight: 935.10 g/mol
• Exact Mass: 934.32
• IUPAC Name: N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3ccc(N(c4ccccc4)c4cccc6c4oc4ccccc46)cc35)cc2)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)48-36-32-43(33-37-48)45-35-39-53-58-40-46-34-38-49(42-57(46)54-23-15-31-64(66(54)58)71-65(53)41-45)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: QSNQSAXNOCRWMZ-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-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine?

The IUPAC name of N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine (CID 121295952) is N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine?

The canonical SMILES for N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3ccc(N(c4ccccc4)c4cccc6c4oc4ccccc46)cc35)cc2)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine?

The InChIKey is QSNQSAXNOCRWMZ-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)48-36-32-43(33-37-48)45-35-39-53-58-40-46-34-38-49(42-57(46)54-23-15-31-64(66(54)58)71-65(53)41-45)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-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine?

N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-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-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-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-16-amine is sourced from PubChem (CID 121295952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).