10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

C34H22N8 — CID 144750472

About 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (PubChem CID 144750472) has the molecular formula C34H22N8 and a molecular weight of 542.61 g/mol. Its IUPAC name is 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
• PubChem CID: 144750472
• Molecular Formula: C34H22N8
• Molecular Weight: 542.61 g/mol
• Exact Mass: 542.20
• IUPAC Name: 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
• SMILES: c1ccc(-n2c3ccncc3c3cc4c(cc32)c2cnccc2n4-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cc1
• InChI: InChI=1S/C34H22N8/c1-2-4-23(5-3-1)41-31-6-8-35-19-29(31)27-18-34-28(17-33(27)41)30-20-36-9-7-32(30)42(34)26-15-24(39-12-10-37-21-39)14-25(16-26)40-13-11-38-22-40/h1-22H
• InChIKey: LUMTVIIJXQRWHQ-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.61
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?

The IUPAC name of 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (CID 144750472) is 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.

What is the SMILES notation for 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?

The canonical SMILES for 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is c1ccc(-n2c3ccncc3c3cc4c(cc32)c2cnccc2n4-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cc1.

What is the InChIKey of 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?

The InChIKey is LUMTVIIJXQRWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N8/c1-2-4-23(5-3-1)41-31-6-8-35-19-29(31)27-18-34-28(17-33(27)41)30-20-36-9-7-32(30)42(34)26-15-24(39-12-10-37-21-39)14-25(16-26)40-13-11-38-22-40/h1-22H.

What are the key properties of 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?

10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene has a molecular weight of 542.61 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 144750472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).