9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C82H48N2O4 — CID 171729166

About 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 171729166) has the molecular formula C82H48N2O4 and a molecular weight of 1125.30 g/mol. Its IUPAC name is 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• PubChem CID: 171729166
• Molecular Formula: C82H48N2O4
• Molecular Weight: 1125.30 g/mol
• Exact Mass: 1124.36
• IUPAC Name: 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• SMILES: c1ccc(-c2cc3ccccc3cc2N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7cc8ccccc8cc7-c7ccccc7)c7cccc8c7oc7ccccc78)ccc6cc5c3cc24)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C82H48N2O4/c1-3-17-49(18-4-1)65-39-51-21-7-9-23-53(51)43-73(65)83(71-29-15-27-63-61-25-11-13-31-75(61)87-81(63)71)59-35-33-55-41-67-69-47-70-68-42-56-34-36-60(38-58(56)46-78(68)86-80(70)48-79(69)85-77(67)45-57(55)37-59)84(72-30-16-28-64-62-26-12-14-32-76(62)88-82(64)72)74-44-54-24-10-8-22-52(54)40-66(74)50-19-5-2-6-20-50/h1-48H
• InChIKey: GHVPUIQTRYDHDJ-UHFFFAOYSA-N
• XLogP: 24.17
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.30
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 171729166) is 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is c1ccc(-c2cc3ccccc3cc2N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7cc8ccccc8cc7-c7ccccc7)c7cccc8c7oc7ccccc78)ccc6cc5c3cc24)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The InChIKey is GHVPUIQTRYDHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N2O4/c1-3-17-49(18-4-1)65-39-51-21-7-9-23-53(51)43-73(65)83(71-29-15-27-63-61-25-11-13-31-75(61)87-81(63)71)59-35-33-55-41-67-69-47-70-68-42-56-34-36-60(38-58(56)46-78(68)86-80(70)48-79(69)85-77(67)45-57(55)37-59)84(72-30-16-28-64-62-26-12-14-32-76(62)88-82(64)72)74-44-54-24-10-8-22-52(54)40-66(74)50-19-5-2-6-20-50/h1-48H.

What are the key properties of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 1125.30 g/mol, XLogP of 24.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 171729166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).