7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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

C62H50N4 — CID 167343497

About 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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

7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 167343497) has the molecular formula C62H50N4 and a molecular weight of 851.11 g/mol. Its IUPAC name is 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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: 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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: 167343497
• Molecular Formula: C62H50N4
• Molecular Weight: 851.11 g/mol
• Exact Mass: 850.40
• IUPAC Name: 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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: Cc1c(C)c(C)c2c(c1C)c1c(N(c3ccccc3)c3ccccc3)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2ccccc2)c2c3c(C)c(C)c(C)c(C)c3n5c12
• InChI: InChI=1S/C62H50N4/c1-35-37(3)41(7)59-55(39(35)5)57-51(63(43-21-13-9-14-22-43)44-23-15-10-16-24-44)31-29-47-49-34-54-50(33-53(49)65(59)61(47)57)48-30-32-52(64(45-25-17-11-18-26-45)46-27-19-12-20-28-46)58-56-40(6)36(2)38(4)42(8)60(56)66(54)62(48)58/h9-34H,1-8H3
• InChIKey: ASPHOVPYXGHMGM-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.11
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 167343497) is 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 Cc1c(C)c(C)c2c(c1C)c1c(N(c3ccccc3)c3ccccc3)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2ccccc2)c2c3c(C)c(C)c(C)c(C)c3n5c12.

What is the InChIKey of 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 ASPHOVPYXGHMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N4/c1-35-37(3)41(7)59-55(39(35)5)57-51(63(43-21-13-9-14-22-43)44-23-15-10-16-24-44)31-29-47-49-34-54-50(33-53(49)65(59)61(47)57)48-30-32-52(64(45-25-17-11-18-26-45)46-27-19-12-20-28-46)58-56-40(6)36(2)38(4)42(8)60(56)66(54)62(48)58/h9-34H,1-8H3.

What are the key properties of 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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?

7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 851.11 g/mol, XLogP of 17.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-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 167343497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).