5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine

C79H58N4O2 — CID 153283719

About 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine

5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine (PubChem CID 153283719) has the molecular formula C79H58N4O2 and a molecular weight of 1095.36 g/mol. Its IUPAC name is 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine.

Molecular Properties

• Compound Name: 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
• PubChem CID: 153283719
• Molecular Formula: C79H58N4O2
• Molecular Weight: 1095.36 g/mol
• Exact Mass: 1094.46
• IUPAC Name: 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
• SMILES: Cc1cccc(C)c1-c1nc2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)c2nc(-c4c(C)cccc4C)oc12)C3(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C79H58N4O2/c1-51-25-23-26-52(2)69(51)77-80-73-67(82(61-37-19-9-20-38-61)63-45-41-57(42-46-63)55-29-11-5-12-30-55)49-65-71(75(73)84-77)72-66(79(65,59-33-15-7-16-34-59)60-35-17-8-18-36-60)50-68(74-76(72)85-78(81-74)70-53(3)27-24-28-54(70)4)83(62-39-21-10-22-40-62)64-47-43-58(44-48-64)56-31-13-6-14-32-56/h5-50H,1-4H3
• InChIKey: OHNDQKAJNCDQGS-UHFFFAOYSA-N
• XLogP: 21.17
• TPSA: 58.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.36
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine?

The IUPAC name of 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine (CID 153283719) is 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine.

What is the SMILES notation for 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine?

The canonical SMILES for 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine is Cc1cccc(C)c1-c1nc2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)c2nc(-c4c(C)cccc4C)oc12)C3(c1ccccc1)c1ccccc1.

What is the InChIKey of 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine?

The InChIKey is OHNDQKAJNCDQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H58N4O2/c1-51-25-23-26-52(2)69(51)77-80-73-67(82(61-37-19-9-20-38-61)63-45-41-57(42-46-63)55-29-11-5-12-30-55)49-65-71(75(73)84-77)72-66(79(65,59-33-15-7-16-34-59)60-35-17-8-18-36-60)50-68(74-76(72)85-78(81-74)70-53(3)27-24-28-54(70)4)83(62-39-21-10-22-40-62)64-47-43-58(44-48-64)56-31-13-6-14-32-56/h5-50H,1-4H3.

What are the key properties of 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine?

5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine has a molecular weight of 1095.36 g/mol, XLogP of 21.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine is sourced from PubChem (CID 153283719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).