13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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 138506890

About 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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 138506890) has the molecular formula C82H54N4O2 and a molecular weight of 1127.36 g/mol. Its IUPAC name is 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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: 138506890
• Molecular Formula: C82H54N4O2
• Molecular Weight: 1127.36 g/mol
• Exact Mass: 1126.42
• IUPAC Name: 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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: Cc1ccccc1N(c1c(C)ccc2c1oc1ccccc12)c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(N(c2ccccc2C)c2c(C)ccc3c2oc2ccccc23)c2c3ccccc3n4c12
• InChI: InChI=1S/C82H54N4O2/c1-47-23-11-17-33-61(47)83(75-49(3)39-41-55-53-29-15-21-37-67(53)87-81(55)75)65-45-43-59-73-69(51-25-7-5-8-26-51)80-74(70(52-27-9-6-10-28-52)79(73)85-63-35-19-13-31-57(63)71(65)77(59)85)60-44-46-66(72-58-32-14-20-36-64(58)86(80)78(60)72)84(62-34-18-12-24-48(62)2)76-50(4)40-42-56-54-30-16-22-38-68(54)88-82(56)76/h5-46H,1-4H3
• InChIKey: DQPSMYABQXLVKG-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-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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 138506890) is 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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 Cc1ccccc1N(c1c(C)ccc2c1oc1ccccc12)c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(N(c2ccccc2C)c2c(C)ccc3c2oc2ccccc23)c2c3ccccc3n4c12.

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

What are the key properties of 13-N,28-N-bis(3-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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-methyldibenzofuran-4-yl)-13-N,28-N-bis(2-methylphenyl)-3,18-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 138506890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).