9-N,23-N-bis(4-tert-butylphenyl)-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

C78H60N2O2 — CID 171729263

About 9-N,23-N-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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 171729263) has the molecular formula C78H60N2O2 and a molecular weight of 1057.35 g/mol. Its IUPAC name is 9-N,23-N-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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: 171729263
• Molecular Formula: C78H60N2O2
• Molecular Weight: 1057.35 g/mol
• Exact Mass: 1056.47
• IUPAC Name: 9-N,23-N-bis(4-tert-butylphenyl)-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: CC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccc(C(C)(C)C)cc7)c7cc8ccccc8cc7-c7ccccc7)ccc6cc5c3cc24)c2cc3ccccc3cc2-c2ccccc2)cc1
• InChI: InChI=1S/C78H60N2O2/c1-77(2,3)59-27-33-61(34-28-59)79(71-43-53-23-15-13-21-51(53)39-65(71)49-17-9-7-10-18-49)63-31-25-55-41-67-69-47-70-68-42-56-26-32-64(38-58(56)46-74(68)82-76(70)48-75(69)81-73(67)45-57(55)37-63)80(62-35-29-60(30-36-62)78(4,5)6)72-44-54-24-16-14-22-52(54)40-66(72)50-19-11-8-12-20-50/h7-48H,1-6H3
• InChIKey: UXBBIBNDTCPJIN-UHFFFAOYSA-N
• XLogP: 22.97
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.35
LogP ≤ 5	22.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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 171729263) is 9-N,23-N-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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 CC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccc(C(C)(C)C)cc7)c7cc8ccccc8cc7-c7ccccc7)ccc6cc5c3cc24)c2cc3ccccc3cc2-c2ccccc2)cc1.

What is the InChIKey of 9-N,23-N-bis(4-tert-butylphenyl)-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 UXBBIBNDTCPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N2O2/c1-77(2,3)59-27-33-61(34-28-59)79(71-43-53-23-15-13-21-51(53)39-65(71)49-17-9-7-10-18-49)63-31-25-55-41-67-69-47-70-68-42-56-26-32-64(38-58(56)46-74(68)82-76(70)48-75(69)81-73(67)45-57(55)37-63)80(62-35-29-60(30-36-62)78(4,5)6)72-44-54-24-16-14-22-52(54)40-66(72)50-19-11-8-12-20-50/h7-48H,1-6H3.

What are the key properties of 9-N,23-N-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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 1057.35 g/mol, XLogP of 22.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(4-tert-butylphenyl)-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 171729263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).