17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene

C40H25N7 — CID 138571403

About 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene

17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene (PubChem CID 138571403) has the molecular formula C40H25N7 and a molecular weight of 603.69 g/mol. Its IUPAC name is 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene.

Molecular Properties

• Compound Name: 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
• PubChem CID: 138571403
• Molecular Formula: C40H25N7
• Molecular Weight: 603.69 g/mol
• Exact Mass: 603.22
• IUPAC Name: 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
• SMILES: c1cc(-n2c3ccccc3n3c4ccccc4cc23)cc(-n2c3nc4ccccc4n3c3ccccc3n3c4ccccc4nc23)c1
• InChI: InChI=1S/C40H25N7/c1-4-17-31-26(12-1)24-38-43(34-20-7-8-21-35(34)45(31)38)27-13-11-14-28(25-27)44-39-41-29-15-2-5-18-32(29)46(39)36-22-9-10-23-37(36)47-33-19-6-3-16-30(33)42-40(44)47/h1-25H
• InChIKey: FEGUNNPRUYNYKC-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 48.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.69
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene?

The IUPAC name of 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene (CID 138571403) is 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene.

What is the SMILES notation for 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene?

The canonical SMILES for 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene is c1cc(-n2c3ccccc3n3c4ccccc4cc23)cc(-n2c3nc4ccccc4n3c3ccccc3n3c4ccccc4nc23)c1.

What is the InChIKey of 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene?

The InChIKey is FEGUNNPRUYNYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N7/c1-4-17-31-26(12-1)24-38-43(34-20-7-8-21-35(34)45(31)38)27-13-11-14-28(25-27)44-39-41-29-15-2-5-18-32(29)46(39)36-22-9-10-23-37(36)47-33-19-6-3-16-30(33)42-40(44)47/h1-25H.

What are the key properties of 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene?

17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene has a molecular weight of 603.69 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene is sourced from PubChem (CID 138571403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).