10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine

C₆₁H₄₀N₄O₂ — CID 139311984

About 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine

10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine (PubChem CID 139311984) has the molecular formula C₆₁H₄₀N₄O₂ and a molecular weight of 861.02 g/mol. Its IUPAC name is 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine
• PubChem CID: 139311984
• Molecular Formula: C₆₁H₄₀N₄O₂
• Molecular Weight: 861.02 g/mol
• Exact Mass: 860.32
• IUPAC Name: 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine
• SMILES: Cn1c2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cccc2c2c1c(-c1ccc(N3c4ccccc4Oc4ccccc43)cc1)cc1c3ccccc3n(-c3ccccc3)c12
• InChI: InChI=1S/C61H40N4O2/c1-62-59-44(39-30-34-42(35-31-39)63-50-22-7-11-26-54(50)66-55-27-12-8-23-51(55)63)19-15-20-46(59)58-60(62)47(38-48-45-18-5-6-21-49(45)65(61(48)58)41-16-3-2-4-17-41)40-32-36-43(37-33-40)64-52-24-9-13-28-56(52)67-57-29-14-10-25-53(57)64/h2-38H,1H3
• InChIKey: GQOLXHXNKJSHBE-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 34.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.02
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?

The IUPAC name of 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine (CID 139311984) is 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine.

What is the SMILES notation for 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?

The canonical SMILES for 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine is Cn1c2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cccc2c2c1c(-c1ccc(N3c4ccccc4Oc4ccccc43)cc1)cc1c3ccccc3n(-c3ccccc3)c12.

What is the InChIKey of 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?

The InChIKey is GQOLXHXNKJSHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O2/c1-62-59-44(39-30-34-42(35-31-39)63-50-22-7-11-26-54(50)66-55-27-12-8-23-51(55)63)19-15-20-46(59)58-60(62)47(38-48-45-18-5-6-21-49(45)65(61(48)58)41-16-3-2-4-17-41)40-32-36-43(37-33-40)64-52-24-9-13-28-56(52)67-57-29-14-10-25-53(57)64/h2-38H,1H3.

What are the key properties of 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?

10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine has a molecular weight of 861.02 g/mol, XLogP of 16.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 139311984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139311984 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.