5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole

C96H54N4O3S — CID 134223714

About 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole

5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 134223714) has the molecular formula C96H54N4O3S and a molecular weight of 1343.58 g/mol. Its IUPAC name is 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 134223714
• Molecular Formula: C96H54N4O3S
• Molecular Weight: 1343.58 g/mol
• Exact Mass: 1342.39
• IUPAC Name: 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c6c7sc8cccc(-c9ccc%10oc%11c(ccc%12c%11c%11cc(-c%13ccc%14c%15c%16oc%17ccccc%17c%16ccc%15n(-c%15ccccc%15)c%14c%13)ccc%11n%12-c%11ccccc%11)c%10c9)c8c7ccc6n(-c6ccccc6)c5c4)cc3c3c4oc5ccccc5c4ccc32)cc1
• InChI: InChI=1S/C96H54N4O3S/c1-5-18-60(19-6-1)97-76-43-35-56(50-74(76)90-79(97)46-40-68-66-27-14-16-30-85(66)102-94(68)90)58-33-38-71-83(54-58)100(63-24-11-4-12-25-63)81-48-42-72-88-64(28-17-31-87(88)104-96(72)92(71)81)59-36-49-86-73(52-59)69-41-47-80-91(95(69)103-86)75-51-55(34-44-77(75)98(80)61-20-7-2-8-21-61)57-32-37-70-82(53-57)99(62-22-9-3-10-23-62)78-45-39-67-65-26-13-15-29-84(65)101-93(67)89(70)78/h1-54H
• InChIKey: VXNXJKWCQPIMNZ-UHFFFAOYSA-N
• XLogP: 27.14
• TPSA: 59.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1343.58
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole (CID 134223714) is 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3ccc(-c4ccc5c6c7sc8cccc(-c9ccc%10oc%11c(ccc%12c%11c%11cc(-c%13ccc%14c%15c%16oc%17ccccc%17c%16ccc%15n(-c%15ccccc%15)c%14c%13)ccc%11n%12-c%11ccccc%11)c%10c9)c8c7ccc6n(-c6ccccc6)c5c4)cc3c3c4oc5ccccc5c4ccc32)cc1.

What is the InChIKey of 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is VXNXJKWCQPIMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N4O3S/c1-5-18-60(19-6-1)97-76-43-35-56(50-74(76)90-79(97)46-40-68-66-27-14-16-30-85(66)102-94(68)90)58-33-38-71-83(54-58)100(63-24-11-4-12-25-63)81-48-42-72-88-64(28-17-31-87(88)104-96(72)92(71)81)59-36-49-86-73(52-59)69-41-47-80-91(95(69)103-86)75-51-55(34-44-77(75)98(80)61-20-7-2-8-21-61)57-32-37-70-82(53-57)99(62-22-9-3-10-23-62)78-45-39-67-65-26-13-15-29-84(65)101-93(67)89(70)78/h1-54H.

What are the key properties of 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole?

5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1343.58 g/mol, XLogP of 27.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 134223714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).