9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine

C76H50N4O2 — CID 163492549

About 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine

9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine (PubChem CID 163492549) has the molecular formula C76H50N4O2 and a molecular weight of 1051.26 g/mol. Its IUPAC name is 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
• PubChem CID: 163492549
• Molecular Formula: C76H50N4O2
• Molecular Weight: 1051.26 g/mol
• Exact Mass: 1050.39
• IUPAC Name: 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
• SMILES: Cc1cccc(N(c2ccc3c(ccc4c5cc6c7ccc8cc(N(c9cccc(C)c9)c9cccc%10c9oc9ccccc9%10)ccc8c7n(-c7ccccc7)c6cc5n(-c5ccccc5)c34)c2)c2cccc3c2oc2ccccc23)c1
• InChI: InChI=1S/C76H50N4O2/c1-47-17-13-23-53(41-47)77(67-29-15-27-63-59-25-9-11-31-71(59)81-75(63)67)55-35-39-57-49(43-55)33-37-61-65-45-66-62-38-34-50-44-56(78(54-24-14-18-48(2)42-54)68-30-16-28-64-60-26-10-12-32-72(60)82-76(64)68)36-40-58(50)74(62)80(52-21-7-4-8-22-52)70(66)46-69(65)79(73(57)61)51-19-5-3-6-20-51/h3-46H,1-2H3
• InChIKey: CNWYJAJXLCIBKH-UHFFFAOYSA-N
• XLogP: 21.54
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.26
LogP ≤ 5	21.54
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-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine (CID 163492549) is 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine is Cc1cccc(N(c2ccc3c(ccc4c5cc6c7ccc8cc(N(c9cccc(C)c9)c9cccc%10c9oc9ccccc9%10)ccc8c7n(-c7ccccc7)c6cc5n(-c5ccccc5)c34)c2)c2cccc3c2oc2ccccc23)c1.

What is the InChIKey of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The InChIKey is CNWYJAJXLCIBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4O2/c1-47-17-13-23-53(41-47)77(67-29-15-27-63-59-25-9-11-31-71(59)81-75(63)67)55-35-39-57-49(43-55)33-37-61-65-45-66-62-38-34-50-44-56(78(54-24-14-18-48(2)42-54)68-30-16-28-64-60-26-10-12-32-72(60)82-76(64)68)36-40-58(50)74(62)80(52-21-7-4-8-22-52)70(66)46-69(65)79(73(57)61)51-19-5-3-6-20-51/h3-46H,1-2H3.

What are the key properties of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine has a molecular weight of 1051.26 g/mol, XLogP of 21.54, 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-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine is sourced from PubChem (CID 163492549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).