7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole

C96H54N4O3S — CID 134223514

About 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole

7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223514) has the molecular formula C96H54N4O3S and a molecular weight of 1343.58 g/mol. Its IUPAC name is 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 134223514
• Molecular Formula: C96H54N4O3S
• Molecular Weight: 1343.58 g/mol
• Exact Mass: 1342.39
• IUPAC Name: 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole
• SMILES: c1ccc(-n2c3cc(-c4ccc5c(c4)c4c6sc7ccc(-c8cccc9c8oc8cc%10c(cc89)c8ccc(-c9ccc%11c(c9)c9c%12oc%13ccccc%13c%12ccc9n%11-c9ccccc9)cc8n%10-c8ccccc8)cc7c6ccc4n5-c4ccccc4)ccc3c3cc4c(cc32)oc2ccccc24)cc1
• InChI: InChI=1S/C96H54N4O3S/c1-5-18-60(19-6-1)97-79-41-34-55(46-77(79)92-81(97)43-39-70-67-26-13-16-31-88(67)102-95(70)92)57-32-38-66-73-52-75-69-29-17-28-64(94(69)103-90(75)54-86(73)100(84(66)49-57)63-24-11-4-12-25-63)59-36-45-91-76(48-59)71-40-44-82-93(96(71)104-91)78-47-56(35-42-80(78)98(82)61-20-7-2-8-21-61)58-33-37-65-72-51-74-68-27-14-15-30-87(68)101-89(74)53-85(72)99(83(65)50-58)62-22-9-3-10-23-62/h1-54H
• InChIKey: QECJISVRHLUVDD-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 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole (CID 134223514) is 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3cc(-c4ccc5c(c4)c4c6sc7ccc(-c8cccc9c8oc8cc%10c(cc89)c8ccc(-c9ccc%11c(c9)c9c%12oc%13ccccc%13c%12ccc9n%11-c9ccccc9)cc8n%10-c8ccccc8)cc7c6ccc4n5-c4ccccc4)ccc3c3cc4c(cc32)oc2ccccc24)cc1.

What is the InChIKey of 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole?

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

What are the key properties of 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole?

7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]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 7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).