17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine

C62H42N2O2 — CID 121476802

About 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine

17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine (PubChem CID 121476802) has the molecular formula C62H42N2O2 and a molecular weight of 847.03 g/mol. Its IUPAC name is 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine.

Molecular Properties

• Compound Name: 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
• PubChem CID: 121476802
• Molecular Formula: C62H42N2O2
• Molecular Weight: 847.03 g/mol
• Exact Mass: 846.32
• IUPAC Name: 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
• SMILES: Cc1ccc2c(N(c3ccccc3)c3ccccc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc2)cc1O5
• InChI: InChI=1S/C62H42N2O2/c1-39-25-31-47-51(33-39)52-37-55-49-32-28-42(41-26-29-46(30-27-41)63(43-15-6-3-7-16-43)56-23-14-22-50-48-21-12-13-24-58(48)66-62(50)56)36-59(49)65-60-35-40(2)34-54(61(55)60)53(52)38-57(47)64(44-17-8-4-9-18-44)45-19-10-5-11-20-45/h3-38H,1-2H3
• InChIKey: JSJGZVXTBYNFLP-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.03
LogP ≤ 5	18.04
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 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?

The IUPAC name of 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine (CID 121476802) is 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine.

What is the SMILES notation for 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?

The canonical SMILES for 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine is Cc1ccc2c(N(c3ccccc3)c3ccccc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc2)cc1O5.

What is the InChIKey of 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?

The InChIKey is JSJGZVXTBYNFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O2/c1-39-25-31-47-51(33-39)52-37-55-49-32-28-42(41-26-29-46(30-27-41)63(43-15-6-3-7-16-43)56-23-14-22-50-48-21-12-13-24-58(48)66-62(50)56)36-59(49)65-60-35-40(2)34-54(61(55)60)53(52)38-57(47)64(44-17-8-4-9-18-44)45-19-10-5-11-20-45/h3-38H,1-2H3.

What are the key properties of 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?

17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine has a molecular weight of 847.03 g/mol, XLogP of 18.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine is sourced from PubChem (CID 121476802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).