5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole

C84H48N6OS — CID 146540521

About 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole

5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole (PubChem CID 146540521) has the molecular formula C84H48N6OS and a molecular weight of 1189.42 g/mol. Its IUPAC name is 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole
• PubChem CID: 146540521
• Molecular Formula: C84H48N6OS
• Molecular Weight: 1189.42 g/mol
• Exact Mass: 1188.36
• IUPAC Name: 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccc4c(c3)sc3cc(-c5cccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc(-c7ccc8c(c7)oc7ccccc78)c7nccnc67)c5)ccc34)c3nccnc23)cc1
• InChI: InChI=1S/C84H48N6OS/c1-2-11-49(12-3-1)56-24-31-71-67(42-56)69-40-52-13-4-6-15-54(52)44-75(69)89(71)74-34-30-62(82-84(74)88-38-36-86-82)60-23-28-66-65-27-21-58(47-79(65)92-80(66)48-60)51-18-10-17-50(39-51)57-25-32-72-68(43-57)70-41-53-14-5-7-16-55(53)45-76(70)90(72)73-33-29-61(81-83(73)87-37-35-85-81)59-22-26-64-63-19-8-9-20-77(63)91-78(64)46-59/h1-48H
• InChIKey: JBFYLQHQTGCWPH-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 74.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1189.42
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole?

The IUPAC name of 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole (CID 146540521) is 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole.

What is the SMILES notation for 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole?

The canonical SMILES for 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccc4c(c3)sc3cc(-c5cccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc(-c7ccc8c(c7)oc7ccccc78)c7nccnc67)c5)ccc34)c3nccnc23)cc1.

What is the InChIKey of 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole?

The InChIKey is JBFYLQHQTGCWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N6OS/c1-2-11-49(12-3-1)56-24-31-71-67(42-56)69-40-52-13-4-6-15-54(52)44-75(69)89(71)74-34-30-62(82-84(74)88-38-36-86-82)60-23-28-66-65-27-21-58(47-79(65)92-80(66)48-60)51-18-10-17-50(39-51)57-25-32-72-68(43-57)70-41-53-14-5-7-16-55(53)45-76(70)90(72)73-33-29-61(81-83(73)87-37-35-85-81)59-22-26-64-63-19-8-9-20-77(63)91-78(64)46-59/h1-48H.

What are the key properties of 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole?

5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole has a molecular weight of 1189.42 g/mol, XLogP of 22.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-[3-[7-[8-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-5-yl]dibenzothiophen-3-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 146540521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).