17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine

C62H42N2O2 — CID 121476773

About 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine

17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine (PubChem CID 121476773) has the molecular formula C62H42N2O2 and a molecular weight of 847.03 g/mol. Its IUPAC name is 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine.

Molecular Properties

• Compound Name: 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine
• PubChem CID: 121476773
• Molecular Formula: C62H42N2O2
• Molecular Weight: 847.03 g/mol
• Exact Mass: 846.32
• IUPAC Name: 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine
• SMILES: Cc1ccc2c(N(c3ccccc3)c3ccccc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)cc1O5
• InChI: InChI=1S/C62H42N2O2/c1-39-29-31-46-50(33-39)51-37-54-48-32-30-44(64(55-26-14-12-23-45(55)41-17-6-3-7-18-41)56-27-16-25-49-47-24-13-15-28-58(47)66-62(49)56)36-59(48)65-60-35-40(2)34-53(61(54)60)52(51)38-57(46)63(42-19-8-4-9-20-42)43-21-10-5-11-22-43/h3-38H,1-2H3
• InChIKey: LXBPZYHZXIXCJZ-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-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine?

The IUPAC name of 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine (CID 121476773) is 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine.

What is the SMILES notation for 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine?

The canonical SMILES for 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine is Cc1ccc2c(N(c3ccccc3)c3ccccc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)cc1O5.

What is the InChIKey of 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine?

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

What are the key properties of 17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine?

17-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine 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-N-dibenzofuran-4-yl-8,23-dimethyl-4-N,4-N-diphenyl-17-N-(2-phenylphenyl)-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-dodecaene-4,17-diamine is sourced from PubChem (CID 121476773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).