13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

C78H46N4O2 — CID 138506837

About 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (PubChem CID 138506837) has the molecular formula C78H46N4O2 and a molecular weight of 1071.25 g/mol. Its IUPAC name is 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• PubChem CID: 138506837
• Molecular Formula: C78H46N4O2
• Molecular Weight: 1071.25 g/mol
• Exact Mass: 1070.36
• IUPAC Name: 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• SMILES: c1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)c4c5ccccc5n6c34)cc2)cc1
• InChI: InChI=1S/C78H46N4O2/c1-3-17-47(18-4-1)49-33-37-51(38-34-49)79(67-29-15-25-57-53-21-9-13-31-71(53)83-77(57)67)65-43-41-55-61-45-70-62(46-69(61)81-63-27-11-7-23-59(63)73(65)75(55)81)56-42-44-66(74-60-24-8-12-28-64(60)82(70)76(56)74)80(52-39-35-50(36-40-52)48-19-5-2-6-20-48)68-30-16-26-58-54-22-10-14-32-72(54)84-78(58)68/h1-46H
• InChIKey: ZPQWKHVAWQRBOY-UHFFFAOYSA-N
• XLogP: 22.06
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.25
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (CID 138506837) is 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is c1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)c4c5ccccc5n6c34)cc2)cc1.

What is the InChIKey of 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The InChIKey is ZPQWKHVAWQRBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N4O2/c1-3-17-47(18-4-1)49-33-37-51(38-34-49)79(67-29-15-25-57-53-21-9-13-31-71(53)83-77(57)67)65-43-41-55-61-45-70-62(46-69(61)81-63-27-11-7-23-59(63)73(65)75(55)81)56-42-44-66(74-60-24-8-12-28-64(60)82(70)76(56)74)80(52-39-35-50(36-40-52)48-19-5-2-6-20-48)68-30-16-26-58-54-22-10-14-32-72(54)84-78(58)68/h1-46H.

What are the key properties of 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine has a molecular weight of 1071.25 g/mol, XLogP of 22.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 138506837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).