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

C38H25N5O — CID 118303740

IUPAC10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cn(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nn2)cc1
InChIInChI=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
InChIKeyAOJRIPPKWVUAAM-UHFFFAOYSA-N
MW567.65 g/mol
LogP9.61
Rot. Bonds4

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 Name10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine
PubChem CID118303740
Molecular FormulaC38H25N5O
Molecular Weight567.65 g/mol
Exact Mass567.21
IUPAC Name10-[4-[1-(4-carbazol-9-ylphenyl)triazol-4-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cn(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nn2)cc1
InChIInChI=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
InChIKeyAOJRIPPKWVUAAM-UHFFFAOYSA-N
XLogP9.61
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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).