9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

C82H60N2O4 — CID 155363244

About 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 155363244) has the molecular formula C82H60N2O4 and a molecular weight of 1137.39 g/mol. Its IUPAC name is 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• PubChem CID: 155363244
• Molecular Formula: C82H60N2O4
• Molecular Weight: 1137.39 g/mol
• Exact Mass: 1136.46
• IUPAC Name: 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• SMILES: Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(-c2ccccc2)c2c(oc4cc5cc(N(c6ccccc6C)c6cccc7c6oc6c(C(C)C)cccc67)ccc5cc42)c(-c2ccccc2)c13)c1cccc2c1oc1c(C(C)C)cccc12
• InChI: InChI=1S/C82H60N2O4/c1-47(2)59-27-17-29-61-63-31-19-35-69(79(63)87-77(59)61)83(67-33-15-13-21-49(67)5)57-39-37-53-43-65-71(45-55(53)41-57)85-81-74(52-25-11-8-12-26-52)76-66-44-54-38-40-58(42-56(54)46-72(66)86-82(76)73(75(65)81)51-23-9-7-10-24-51)84(68-34-16-14-22-50(68)6)70-36-20-32-64-62-30-18-28-60(48(3)4)78(62)88-80(64)70/h7-48H,1-6H3
• InChIKey: HMLNQJUZALUMNR-UHFFFAOYSA-N
• XLogP: 24.73
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.39
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 155363244) is 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(-c2ccccc2)c2c(oc4cc5cc(N(c6ccccc6C)c6cccc7c6oc6c(C(C)C)cccc67)ccc5cc42)c(-c2ccccc2)c13)c1cccc2c1oc1c(C(C)C)cccc12.

What is the InChIKey of 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The InChIKey is HMLNQJUZALUMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60N2O4/c1-47(2)59-27-17-29-61-63-31-19-35-69(79(63)87-77(59)61)83(67-33-15-13-21-49(67)5)57-39-37-53-43-65-71(45-55(53)41-57)85-81-74(52-25-11-8-12-26-52)76-66-44-54-38-40-58(42-56(54)46-72(66)86-82(76)73(75(65)81)51-23-9-7-10-24-51)84(68-34-16-14-22-50(68)6)70-36-20-32-64-62-30-18-28-60(48(3)4)78(62)88-80(64)70/h7-48H,1-6H3.

What are the key properties of 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 1137.39 g/mol, XLogP of 24.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 155363244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).