9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine

C72H52F2N4 — CID 138745360

About 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine

9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine (PubChem CID 138745360) has the molecular formula C72H52F2N4 and a molecular weight of 1011.23 g/mol. Its IUPAC name is 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine.

Molecular Properties

• Compound Name: 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine
• PubChem CID: 138745360
• Molecular Formula: C72H52F2N4
• Molecular Weight: 1011.23 g/mol
• Exact Mass: 1010.42
• IUPAC Name: 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccc(F)cc5)c5ccc(C(C)C)cc5)ccc4n6c32)cc1
• InChI: InChI=1S/C72H52F2N4/c1-43(2)45-21-29-51(30-22-45)75(53-33-25-49(73)26-34-53)55-37-39-63-61(41-55)57-17-11-19-59-67-66(48-15-9-6-10-16-48)72-68(65(47-13-7-5-8-14-47)71(67)77(63)69(57)59)60-20-12-18-58-62-42-56(38-40-64(62)78(72)70(58)60)76(54-35-27-50(74)28-36-54)52-31-23-46(24-32-52)44(3)4/h5-44H,1-4H3
• InChIKey: DKFVICMBGUBKPS-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.23
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine?

The IUPAC name of 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine (CID 138745360) is 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine.

What is the SMILES notation for 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine?

The canonical SMILES for 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine is CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccc(F)cc5)c5ccc(C(C)C)cc5)ccc4n6c32)cc1.

What is the InChIKey of 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine?

The InChIKey is DKFVICMBGUBKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52F2N4/c1-43(2)45-21-29-51(30-22-45)75(53-33-25-49(73)26-34-53)55-37-39-63-61(41-55)57-17-11-19-59-67-66(48-15-9-6-10-16-48)72-68(65(47-13-7-5-8-14-47)71(67)77(63)69(57)59)60-20-12-18-58-62-42-56(38-40-64(62)78(72)70(58)60)76(54-35-27-50(74)28-36-54)52-31-23-46(24-32-52)44(3)4/h5-44H,1-4H3.

What are the key properties of 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine?

9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine has a molecular weight of 1011.23 g/mol, XLogP of 20.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,24-N-bis(4-fluorophenyl)-3,18-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-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-9,24-diamine is sourced from PubChem (CID 138745360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).