10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine

C₃₈H₂₅N₅O — CID 118303740

About 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine

10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine (PubChem CID 118303740) has the molecular formula C₃₈H₂₅N₅O and a molecular weight of 567.65 g/mol. Its IUPAC name is 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine
• PubChem CID: 118303740
• Molecular Formula: C₃₈H₂₅N₅O
• Molecular Weight: 567.65 g/mol
• Exact Mass: 567.21
• IUPAC Name: 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cn(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nn2)cc1
• InChI: InChI=1S/C38H25N5O/c1-3-11-33-30(9-1)31-10-2-4-12-34(31)42(33)29-23-21-27(22-24-29)41-25-32(39-40-41)26-17-19-28(20-18-26)43-35-13-5-7-15-37(35)44-38-16-8-6-14-36(38)43/h1-25H
• InChIKey: AOJRIPPKWVUAAM-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.65
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine?

The IUPAC name of 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine (CID 118303740) is 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine.

What is the SMILES notation for 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine?

The canonical SMILES for 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cn(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nn2)cc1.

What is the InChIKey of 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine?

The InChIKey is AOJRIPPKWVUAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5O/c1-3-11-33-30(9-1)31-10-2-4-12-34(31)42(33)29-23-21-27(22-24-29)41-25-32(39-40-41)26-17-19-28(20-18-26)43-35-13-5-7-15-37(35)44-38-16-8-6-14-36(38)43/h1-25H.

What are the key properties of 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine?

10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine has a molecular weight of 567.65 g/mol, XLogP of 9.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine is sourced from PubChem (CID 118303740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118303740 — identifiers, structure, computed properties (public domain)

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