10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine

C58H44N2O2 — CID 163688779

About 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine

10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine (PubChem CID 163688779) has the molecular formula C58H44N2O2 and a molecular weight of 801.00 g/mol. Its IUPAC name is 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine.

Molecular Properties

• Compound Name: 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine
• PubChem CID: 163688779
• Molecular Formula: C58H44N2O2
• Molecular Weight: 801.00 g/mol
• Exact Mass: 800.34
• IUPAC Name: 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine
• SMILES: CC1C=Cc2c(c3cc(N(c4ccccc4)c4ccc5oc6c(c5c4)C(C)CC=C6)ccc3c3oc4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4c23)C1
• InChI: InChI=1S/C58H44N2O2/c1-37-25-29-46-49(33-37)50-34-42(59(40-18-8-4-9-19-40)43-28-32-53-51(35-43)56-38(2)15-14-24-54(56)61-53)26-30-47(50)58-57(46)48-31-27-44(36-55(48)62-58)60(41-20-10-5-11-21-41)52-23-13-12-22-45(52)39-16-6-3-7-17-39/h3-14,16-32,34-38H,15,33H2,1-2H3
• InChIKey: JREIXWMEKACQSP-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.00
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine?

The IUPAC name of 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine (CID 163688779) is 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine.

What is the SMILES notation for 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine?

The canonical SMILES for 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine is CC1C=Cc2c(c3cc(N(c4ccccc4)c4ccc5oc6c(c5c4)C(C)CC=C6)ccc3c3oc4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4c23)C1.

What is the InChIKey of 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine?

The InChIKey is JREIXWMEKACQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O2/c1-37-25-29-46-49(33-37)50-34-42(59(40-18-8-4-9-19-40)43-28-32-53-51(35-43)56-38(2)15-14-24-54(56)61-53)26-30-47(50)58-57(46)48-31-27-44(36-55(48)62-58)60(41-20-10-5-11-21-41)52-23-13-12-22-45(52)39-16-6-3-7-17-39/h3-14,16-32,34-38H,15,33H2,1-2H3.

What are the key properties of 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine?

10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine has a molecular weight of 801.00 g/mol, XLogP of 16.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine is sourced from PubChem (CID 163688779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).