5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole

C72H43N5O — CID 123179485

About 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole

5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole (PubChem CID 123179485) has the molecular formula C72H43N5O and a molecular weight of 994.17 g/mol. Its IUPAC name is 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
• PubChem CID: 123179485
• Molecular Formula: C72H43N5O
• Molecular Weight: 994.17 g/mol
• Exact Mass: 993.35
• IUPAC Name: 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)cccc6c5c4)c23)cc1
• InChI: InChI=1S/C72H43N5O/c1-3-18-44(19-4-1)73-61-31-15-10-25-54(61)68-64(73)39-36-51-48-22-7-13-29-59(48)76(70(51)68)47-34-38-63-56(42-47)50-24-9-12-28-58(50)75(63)46-35-41-67-57(43-46)53-27-17-33-66(72(53)78-67)77-60-30-14-8-23-49(60)52-37-40-65-69(71(52)77)55-26-11-16-32-62(55)74(65)45-20-5-2-6-21-45/h1-43H
• InChIKey: AKKGZXFSXZGCMI-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 37.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.17
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole?

The IUPAC name of 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole (CID 123179485) is 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)cccc6c5c4)c23)cc1.

What is the InChIKey of 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole?

The InChIKey is AKKGZXFSXZGCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43N5O/c1-3-18-44(19-4-1)73-61-31-15-10-25-54(61)68-64(73)39-36-51-48-22-7-13-29-59(48)76(70(51)68)47-34-38-63-56(42-47)50-24-9-12-28-58(50)75(63)46-35-41-67-57(43-46)53-27-17-33-66(72(53)78-67)77-60-30-14-8-23-49(60)52-37-40-65-69(71(52)77)55-26-11-16-32-62(55)74(65)45-20-5-2-6-21-45/h1-43H.

What are the key properties of 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole?

5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole has a molecular weight of 994.17 g/mol, XLogP of 19.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 123179485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).