9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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

C78H50N4 — CID 138746092

About 9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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 138746092) has the molecular formula C78H50N4 and a molecular weight of 1043.29 g/mol. Its IUPAC name is 9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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: 138746092
• Molecular Formula: C78H50N4
• Molecular Weight: 1043.29 g/mol
• Exact Mass: 1042.40
• IUPAC Name: 9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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: c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4n6c32)cc1
• InChI: InChI=1S/C78H50N4/c1-7-25-51(26-8-1)59-37-19-21-43-67(59)79(55-33-15-5-16-34-55)57-45-47-69-65(49-57)61-39-23-41-63-73-72(54-31-13-4-14-32-54)78-74(71(53-29-11-3-12-30-53)77(73)81(69)75(61)63)64-42-24-40-62-66-50-58(46-48-70(66)82(78)76(62)64)80(56-35-17-6-18-36-56)68-44-22-20-38-60(68)52-27-9-2-10-28-52/h1-50H
• InChIKey: BTXWWZXITSPSEK-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.29
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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 138746092) is 9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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 c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4n6c32)cc1.

What is the InChIKey of 9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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 BTXWWZXITSPSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N4/c1-7-25-51(26-8-1)59-37-19-21-43-67(59)79(55-33-15-5-16-34-55)57-45-47-69-65(49-57)61-39-23-41-63-73-72(54-31-13-4-14-32-54)78-74(71(53-29-11-3-12-30-53)77(73)81(69)75(61)63)64-42-24-40-62-66-50-58(46-48-70(66)82(78)76(62)64)80(56-35-17-6-18-36-56)68-44-22-20-38-60(68)52-27-9-2-10-28-52/h1-50H.

What are the key properties of 9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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 1043.29 g/mol, XLogP of 21.59, 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,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-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 138746092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).