13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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

C80H50N4O2 — CID 138506892

About 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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 138506892) has the molecular formula C80H50N4O2 and a molecular weight of 1099.31 g/mol. Its IUPAC name is 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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: 138506892
• Molecular Formula: C80H50N4O2
• Molecular Weight: 1099.31 g/mol
• Exact Mass: 1098.39
• IUPAC Name: 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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: Cc1ccc2c(oc3ccccc32)c1N(c1ccccc1)c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(N(c2ccccc2)c2c(C)ccc3c2oc2ccccc23)c2c3ccccc3n4c12
• InChI: InChI=1S/C80H50N4O2/c1-47-39-41-55-53-31-17-21-37-65(53)85-79(55)73(47)81(51-27-11-5-12-28-51)63-45-43-59-71-67(49-23-7-3-8-24-49)78-72(68(50-25-9-4-10-26-50)77(71)83-61-35-19-15-33-57(61)69(63)75(59)83)60-44-46-64(70-58-34-16-20-36-62(58)84(78)76(60)70)82(52-29-13-6-14-30-52)74-48(2)40-42-56-54-32-18-22-38-66(54)86-80(56)74/h3-46H,1-2H3
• InChIKey: KCMQFDVGMKFMJF-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.31
LogP ≤ 5	22.68
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-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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 138506892) is 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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 Cc1ccc2c(oc3ccccc32)c1N(c1ccccc1)c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(N(c2ccccc2)c2c(C)ccc3c2oc2ccccc23)c2c3ccccc3n4c12.

What is the InChIKey of 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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 KCMQFDVGMKFMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N4O2/c1-47-39-41-55-53-31-17-21-37-65(53)85-79(55)73(47)81(51-27-11-5-12-28-51)63-45-43-59-71-67(49-23-7-3-8-24-49)78-72(68(50-25-9-4-10-26-50)77(71)83-61-35-19-15-33-57(61)69(63)75(59)83)60-44-46-64(70-58-34-16-20-36-62(58)84(78)76(60)70)82(52-29-13-6-14-30-52)74-48(2)40-42-56-54-32-18-22-38-66(54)86-80(56)74/h3-46H,1-2H3.

What are the key properties of 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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 1099.31 g/mol, XLogP of 22.68, 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-methyldibenzofuran-4-yl)-13-N,28-N,3,18-tetraphenyl-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 138506892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).