13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C59H35N7 — CID 141381026

About 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 141381026) has the molecular formula C59H35N7 and a molecular weight of 841.98 g/mol. Its IUPAC name is 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• PubChem CID: 141381026
• Molecular Formula: C59H35N7
• Molecular Weight: 841.98 g/mol
• Exact Mass: 841.30
• IUPAC Name: 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• SMILES: c1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C2(c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1)c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1
• InChI: InChI=1S/C59H35N7/c1-9-24-50-40(14-1)41-17-13-19-45-56(41)66(50)53-27-12-4-18-44(53)59(45,36-28-32-38(33-29-36)64-51-25-10-2-15-42(51)54-57(64)62-48-22-7-5-20-46(48)60-54)37-30-34-39(35-31-37)65-52-26-11-3-16-43(52)55-58(65)63-49-23-8-6-21-47(49)61-55/h1-35H
• InChIKey: GSRSCAQIUCRISN-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.98
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 141381026) is 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C2(c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1)c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1.

What is the InChIKey of 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The InChIKey is GSRSCAQIUCRISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N7/c1-9-24-50-40(14-1)41-17-13-19-45-56(41)66(50)53-27-12-4-18-44(53)59(45,36-28-32-38(33-29-36)64-51-25-10-2-15-42(51)54-57(64)62-48-22-7-5-20-46(48)60-54)37-30-34-39(35-31-37)65-52-26-11-3-16-43(52)55-58(65)63-49-23-8-6-21-47(49)61-55/h1-35H.

What are the key properties of 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 841.98 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 13,13-bis(4-indolo[3,2-b]quinoxalin-6-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 141381026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).