10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine

C66H40F2N4 — CID 138745529

About 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine

10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine (PubChem CID 138745529) has the molecular formula C66H40F2N4 and a molecular weight of 927.07 g/mol. Its IUPAC name is 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
• PubChem CID: 138745529
• Molecular Formula: C66H40F2N4
• Molecular Weight: 927.07 g/mol
• Exact Mass: 926.32
• IUPAC Name: 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
• SMILES: Fc1cccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccccc5)c5cccc(F)c5)cccc4n6c32)c1
• InChI: InChI=1S/C66H40F2N4/c67-43-23-13-29-47(39-43)69(45-25-9-3-10-26-45)53-35-17-37-55-59(53)50-32-16-34-52-62-58(42-21-7-2-8-22-42)66-61(57(41-19-5-1-6-20-41)65(62)71(55)64(50)52)51-33-15-31-49-60-54(36-18-38-56(60)72(66)63(49)51)70(46-27-11-4-12-28-46)48-30-14-24-44(68)40-48/h1-40H
• InChIKey: PZFGBVRDPCJJQC-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.07
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The IUPAC name of 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine (CID 138745529) is 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine.

What is the SMILES notation for 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The canonical SMILES for 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine is Fc1cccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccccc5)c5cccc(F)c5)cccc4n6c32)c1.

What is the InChIKey of 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The InChIKey is PZFGBVRDPCJJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40F2N4/c67-43-23-13-29-47(39-43)69(45-25-9-3-10-26-45)53-35-17-37-55-59(53)50-32-16-34-52-62-58(42-21-7-2-8-22-42)66-61(57(41-19-5-1-6-20-41)65(62)71(55)64(50)52)51-33-15-31-49-60-54(36-18-38-56(60)72(66)63(49)51)70(46-27-11-4-12-28-46)48-30-14-24-44(68)40-48/h1-40H.

What are the key properties of 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine has a molecular weight of 927.07 g/mol, XLogP of 18.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-bis(3-fluorophenyl)-10-N,25-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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine is sourced from PubChem (CID 138745529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).