10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine

C72H48N4S — CID 88856281

About 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine

10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine (PubChem CID 88856281) has the molecular formula C72H48N4S and a molecular weight of 1001.27 g/mol. Its IUPAC name is 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine.

Molecular Properties

• Compound Name: 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
• PubChem CID: 88856281
• Molecular Formula: C72H48N4S
• Molecular Weight: 1001.27 g/mol
• Exact Mass: 1000.36
• IUPAC Name: 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
• SMILES: c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c5sc6c(ccc7c6c6cc(N(c8ccccc8)c8ccccc8)ccc6n7-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1
• InChI: InChI=1S/C72H48N4S/c1-7-19-49(20-8-1)51-31-35-57(36-32-51)75-65-43-39-59(73(53-23-11-3-12-24-53)54-25-13-4-14-26-54)47-63(65)69-67(75)45-41-61-62-42-46-68-70(72(62)77-71(61)69)64-48-60(74(55-27-15-5-16-28-55)56-29-17-6-18-30-56)40-44-66(64)76(68)58-37-33-52(34-38-58)50-21-9-2-10-22-50/h1-48H
• InChIKey: KCJHGUXYOLWRKM-UHFFFAOYSA-N
• XLogP: 20.52
• TPSA: 16.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.27
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?

The IUPAC name of 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine (CID 88856281) is 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine.

What is the SMILES notation for 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?

The canonical SMILES for 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine is c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c5sc6c(ccc7c6c6cc(N(c8ccccc8)c8ccccc8)ccc6n7-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1.

What is the InChIKey of 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?

The InChIKey is KCJHGUXYOLWRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4S/c1-7-19-49(20-8-1)51-31-35-57(36-32-51)75-65-43-39-59(73(53-23-11-3-12-24-53)54-25-13-4-14-26-54)47-63(65)69-67(75)45-41-61-62-42-46-68-70(72(62)77-71(61)69)64-48-60(74(55-27-15-5-16-28-55)56-29-17-6-18-30-56)40-44-66(64)76(68)58-37-33-52(34-38-58)50-21-9-2-10-22-50/h1-48H.

What are the key properties of 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?

10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine has a molecular weight of 1001.27 g/mol, XLogP of 20.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine is sourced from PubChem (CID 88856281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).