10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine

C58H36N4O2 — CID 155121013

About 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine

10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine (PubChem CID 155121013) has the molecular formula C58H36N4O2 and a molecular weight of 820.95 g/mol. Its IUPAC name is 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine.

Molecular Properties

• Compound Name: 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine
• PubChem CID: 155121013
• Molecular Formula: C58H36N4O2
• Molecular Weight: 820.95 g/mol
• Exact Mass: 820.28
• IUPAC Name: 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine
• SMILES: c1ccc(-n2ccc3cc4c(cc32)N(c2cccc(-c3cccc(-n5c6ccccc6c6cc7ccn(-c8cccc9oc%10ccccc%10c89)c7cc65)c3)c2)c2ccccc2O4)cc1
• InChI: InChI=1S/C58H36N4O2/c1-2-15-41(16-3-1)59-29-27-40-34-57-53(36-50(40)59)62(48-22-7-9-25-55(48)64-57)43-18-11-14-38(32-43)37-13-10-17-42(31-37)61-47-21-6-4-19-44(47)46-33-39-28-30-60(51(39)35-52(46)61)49-23-12-26-56-58(49)45-20-5-8-24-54(45)63-56/h1-36H
• InChIKey: HJRRXGXTDBTLKX-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 40.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.95
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine?

The IUPAC name of 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine (CID 155121013) is 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine.

What is the SMILES notation for 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine?

The canonical SMILES for 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine is c1ccc(-n2ccc3cc4c(cc32)N(c2cccc(-c3cccc(-n5c6ccccc6c6cc7ccn(-c8cccc9oc%10ccccc%10c89)c7cc65)c3)c2)c2ccccc2O4)cc1.

What is the InChIKey of 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine?

The InChIKey is HJRRXGXTDBTLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O2/c1-2-15-41(16-3-1)59-29-27-40-34-57-53(36-50(40)59)62(48-22-7-9-25-55(48)64-57)43-18-11-14-38(32-43)37-13-10-17-42(31-37)61-47-21-6-4-19-44(47)46-33-39-28-30-60(51(39)35-52(46)61)49-23-12-26-56-58(49)45-20-5-8-24-54(45)63-56/h1-36H.

What are the key properties of 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine?

10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine has a molecular weight of 820.95 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine is sourced from PubChem (CID 155121013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).