10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine

C62H44N6O3 — CID 169289081

About 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine

10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 169289081) has the molecular formula C62H44N6O3 and a molecular weight of 921.07 g/mol. Its IUPAC name is 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine
• PubChem CID: 169289081
• Molecular Formula: C62H44N6O3
• Molecular Weight: 921.07 g/mol
• Exact Mass: 920.35
• IUPAC Name: 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine
• SMILES: Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C)c6ccccc65)c4)cc32)ncc1-c1c(N2c3ccccc3Oc3ccccc32)cccc1N1c2ccccc2Oc2ccccc21
• InChI: InChI=1S/C62H44N6O3/c1-40-35-61(68-47-20-4-3-19-44(47)45-34-33-43(37-56(45)68)69-42-18-15-17-41(36-42)65-39-64(2)48-21-5-6-22-49(48)65)63-38-46(40)62-54(66-50-23-7-11-29-57(50)70-58-30-12-8-24-51(58)66)27-16-28-55(62)67-52-25-9-13-31-59(52)71-60-32-14-10-26-53(60)67/h3-38H,39H2,1-2H3
• InChIKey: YMHVNIXBZJDGQT-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 58.47 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.07
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine?

The IUPAC name of 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine (CID 169289081) is 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine.

What is the SMILES notation for 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine?

The canonical SMILES for 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine is Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C)c6ccccc65)c4)cc32)ncc1-c1c(N2c3ccccc3Oc3ccccc32)cccc1N1c2ccccc2Oc2ccccc21.

What is the InChIKey of 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine?

The InChIKey is YMHVNIXBZJDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N6O3/c1-40-35-61(68-47-20-4-3-19-44(47)45-34-33-43(37-56(45)68)69-42-18-15-17-41(36-42)65-39-64(2)48-21-5-6-22-49(48)65)63-38-46(40)62-54(66-50-23-7-11-29-57(50)70-58-30-12-8-24-51(58)66)27-16-28-55(62)67-52-25-9-13-31-59(52)71-60-32-14-10-26-53(60)67/h3-38H,39H2,1-2H3.

What are the key properties of 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine?

10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 921.07 g/mol, XLogP of 16.64, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 169289081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).