13-N,28-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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

C82H54N4O2 — CID 138506869

About 13-N,28-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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 138506869) has the molecular formula C82H54N4O2 and a molecular weight of 1127.36 g/mol. Its IUPAC name is 13-N,28-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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: 138506869
• Molecular Formula: C82H54N4O2
• Molecular Weight: 1127.36 g/mol
• Exact Mass: 1126.42
• IUPAC Name: 13-N,28-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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: Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(N(c4ccccc4)c4c(C)ccc5c4oc4c(-c7ccccc7C)cccc45)c4c5ccccc5n6c34)c(C)ccc12
• InChI: InChI=1S/C82H54N4O2/c1-47-21-11-13-27-53(47)57-31-19-33-59-61-39-37-49(3)75(81(61)87-79(57)59)83(51-23-7-5-8-24-51)69-43-41-55-65-45-72-66(46-71(65)85-67-35-17-15-29-63(67)73(69)77(55)85)56-42-44-70(74-64-30-16-18-36-68(64)86(72)78(56)74)84(52-25-9-6-10-26-52)76-50(4)38-40-62-60-34-20-32-58(80(60)88-82(62)76)54-28-14-12-22-48(54)2/h5-46H,1-4H3
• InChIKey: YHKNZSOOYOLFOF-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.36
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 13-N,28-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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 138506869) is 13-N,28-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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 Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(N(c4ccccc4)c4c(C)ccc5c4oc4c(-c7ccccc7C)cccc45)c4c5ccccc5n6c34)c(C)ccc12.

What is the InChIKey of 13-N,28-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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 YHKNZSOOYOLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H54N4O2/c1-47-21-11-13-27-53(47)57-31-19-33-59-61-39-37-49(3)75(81(61)87-79(57)59)83(51-23-7-5-8-24-51)69-43-41-55-65-45-72-66(46-71(65)85-67-35-17-15-29-63(67)73(69)77(55)85)56-42-44-70(74-64-30-16-18-36-68(64)86(72)78(56)74)84(52-25-9-6-10-26-52)76-50(4)38-40-62-60-34-20-32-58(80(60)88-82(62)76)54-28-14-12-22-48(54)2/h5-46H,1-4H3.

What are the key properties of 13-N,28-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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 1127.36 g/mol, XLogP of 23.29, 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-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-13-N,28-N-diphenyl-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 138506869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).