9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine

C82H52N2O4 — CID 155361821

About 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine

9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 155361821) has the molecular formula C82H52N2O4 and a molecular weight of 1129.33 g/mol. Its IUPAC name is 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
• PubChem CID: 155361821
• Molecular Formula: C82H52N2O4
• Molecular Weight: 1129.33 g/mol
• Exact Mass: 1128.39
• IUPAC Name: 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
• SMILES: Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(-c2ccccc2)c2c(cc13)oc1cc3cc(N(c4ccccc4C)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc3cc12)c1cccc2c1oc1c(-c3ccccc3)cccc12
• InChI: InChI=1S/C82H52N2O4/c1-49-20-12-14-34-69(49)83(71-36-18-32-64-62-30-16-28-60(78(62)87-80(64)71)51-22-6-3-7-23-51)58-40-38-54-44-66-67-48-75-77(76(53-26-10-5-11-27-53)82(67)86-73(66)46-56(54)42-58)68-45-55-39-41-59(43-57(55)47-74(68)85-75)84(70-35-15-13-21-50(70)2)72-37-19-33-65-63-31-17-29-61(79(63)88-81(65)72)52-24-8-4-9-25-52/h3-48H,1-2H3
• InChIKey: OWWFEFAPFCCWSK-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.33
LogP ≤ 5	24.15
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-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 155361821) is 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(-c2ccccc2)c2c(cc13)oc1cc3cc(N(c4ccccc4C)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc3cc12)c1cccc2c1oc1c(-c3ccccc3)cccc12.

What is the InChIKey of 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?

The InChIKey is OWWFEFAPFCCWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52N2O4/c1-49-20-12-14-34-69(49)83(71-36-18-32-64-62-30-16-28-60(78(62)87-80(64)71)51-22-6-3-7-23-51)58-40-38-54-44-66-67-48-75-77(76(53-26-10-5-11-27-53)82(67)86-73(66)46-56(54)42-58)68-45-55-39-41-59(43-57(55)47-74(68)85-75)84(70-35-15-13-21-50(70)2)72-37-19-33-65-63-31-17-29-61(79(63)88-81(65)72)52-24-8-4-9-25-52/h3-48H,1-2H3.

What are the key properties of 9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?

9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 1129.33 g/mol, XLogP of 24.15, 9 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-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 155361821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).