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

C66H42N2O2 — CID 118148995

About N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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

N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 118148995) has the molecular formula C66H42N2O2 and a molecular weight of 895.07 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 Name: N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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: 118148995
• Molecular Formula: C66H42N2O2
• Molecular Weight: 895.07 g/mol
• Exact Mass: 894.32
• IUPAC Name: N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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
• SMILES: c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccc(N(c4ccccc4)c4ccc5oc7ccccc7c5c4)cc3O6)cc2)cc1
• InChI: InChI=1S/C66H42N2O2/c1-4-17-43(18-5-1)50-23-12-14-28-61(50)68(46-21-8-3-9-22-46)47-33-31-44(32-34-47)56-41-58-55-27-16-30-64-66(55)60(42-57(58)52-25-11-10-24-51(52)56)54-37-35-49(40-65(54)70-64)67(45-19-6-2-7-20-45)48-36-38-63-59(39-48)53-26-13-15-29-62(53)69-63/h1-42H
• InChIKey: WDMIUCCUCDZPIT-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.07
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 118148995) is N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccc(N(c4ccccc4)c4ccc5oc7ccccc7c5c4)cc3O6)cc2)cc1.

What is the InChIKey of N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 WDMIUCCUCDZPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O2/c1-4-17-43(18-5-1)50-23-12-14-28-61(50)68(46-21-8-3-9-22-46)47-33-31-44(32-34-47)56-41-58-55-27-16-30-64-66(55)60(42-57(58)52-25-11-10-24-51(52)56)54-37-35-49(40-65(54)70-64)67(45-19-6-2-7-20-45)48-36-38-63-59(39-48)53-26-13-15-29-62(53)69-63/h1-42H.

What are the key properties of N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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?

N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 895.07 g/mol, XLogP of 19.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-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 118148995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).