13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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

C74H54N4 — CID 171728760

About 13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 171728760) has the molecular formula C74H54N4 and a molecular weight of 999.27 g/mol. Its IUPAC name is 13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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: 171728760
• Molecular Formula: C74H54N4
• Molecular Weight: 999.27 g/mol
• Exact Mass: 998.43
• IUPAC Name: 13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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(-c2c(N(c3ccccc3)c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(N(c4ccccc4)c4ccc5c(c4-c4ccccc4)CCCC5)c4c5ccccc5n6c34)ccc3c2CCCC3)cc1
• InChI: InChI=1S/C74H54N4/c1-5-23-49(24-6-1)69-53-31-15-13-21-47(53)37-41-63(69)75(51-27-9-3-10-28-51)65-43-39-55-59-45-68-60(46-67(59)77-61-35-19-17-33-57(61)71(65)73(55)77)56-40-44-66(72-58-34-18-20-36-62(58)78(68)74(56)72)76(52-29-11-4-12-30-52)64-42-38-48-22-14-16-32-54(48)70(64)50-25-7-2-8-26-50/h1-12,17-20,23-30,33-46H,13-16,21-22,31-32H2
• InChIKey: LDBQSBGRXDBKRL-UHFFFAOYSA-N
• XLogP: 20.02
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.27
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 171728760) is 13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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(-c2c(N(c3ccccc3)c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(N(c4ccccc4)c4ccc5c(c4-c4ccccc4)CCCC5)c4c5ccccc5n6c34)ccc3c2CCCC3)cc1.

What is the InChIKey of 13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 LDBQSBGRXDBKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N4/c1-5-23-49(24-6-1)69-53-31-15-13-21-47(53)37-41-63(69)75(51-27-9-3-10-28-51)65-43-39-55-59-45-68-60(46-67(59)77-61-35-19-17-33-57(61)71(65)73(55)77)56-40-44-66(72-58-34-18-20-36-62(58)78(68)74(56)72)76(52-29-11-4-12-30-52)64-42-38-48-22-14-16-32-54(48)70(64)50-25-7-2-8-26-50/h1-12,17-20,23-30,33-46H,13-16,21-22,31-32H2.

What are the key properties of 13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 999.27 g/mol, XLogP of 20.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,28-N-diphenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 171728760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).