5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole

C48H29N9OS — CID 140969703

About 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole

5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole (PubChem CID 140969703) has the molecular formula C48H29N9OS and a molecular weight of 779.89 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole.

Molecular Properties

• Compound Name: 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole
• PubChem CID: 140969703
• Molecular Formula: C48H29N9OS
• Molecular Weight: 779.89 g/mol
• Exact Mass: 779.22
• IUPAC Name: 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole
• SMILES: c1coc(-c2ccc3[nH]c4c(-c5ncc6[nH]cnc6n5)c(-c5[nH]cc6ccccc56)c(-c5cc6ccccc6[nH]5)c(-c5cc[nH]n5)c4c3c2-c2cc3ccccc3s2)c1
• InChI: InChI=1S/C48H29N9OS/c1-4-11-28-27(10-1)22-49-45(28)43-41(33-20-25-8-2-5-12-30(25)54-33)40(32-17-18-53-57-32)42-39-31(55-46(42)44(43)48-50-23-34-47(56-48)52-24-51-34)16-15-29(35-13-7-19-58-35)38(39)37-21-26-9-3-6-14-36(26)59-37/h1-24,49,54-55H,(H,53,57)(H,50,51,52,56)
• InChIKey: GMVZZFUDVCVEBL-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 143.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.89
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole?

The IUPAC name of 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole (CID 140969703) is 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole.

What is the SMILES notation for 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole?

The canonical SMILES for 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole is c1coc(-c2ccc3[nH]c4c(-c5ncc6[nH]cnc6n5)c(-c5[nH]cc6ccccc56)c(-c5cc6ccccc6[nH]5)c(-c5cc[nH]n5)c4c3c2-c2cc3ccccc3s2)c1.

What is the InChIKey of 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole?

The InChIKey is GMVZZFUDVCVEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N9OS/c1-4-11-28-27(10-1)22-49-45(28)43-41(33-20-25-8-2-5-12-30(25)54-33)40(32-17-18-53-57-32)42-39-31(55-46(42)44(43)48-50-23-34-47(56-48)52-24-51-34)16-15-29(35-13-7-19-58-35)38(39)37-21-26-9-3-6-14-36(26)59-37/h1-24,49,54-55H,(H,53,57)(H,50,51,52,56).

What are the key properties of 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole?

5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole has a molecular weight of 779.89 g/mol, XLogP of 12.48, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole is sourced from PubChem (CID 140969703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).