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

C38H25N5O — CID 118281963

IUPAC10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nn2)cc1
InChIInChI=1S/C38H25N5O/c1-3-11-33-30(9-1)31-10-2-4-12-34(31)42(33)28-19-17-26(18-20-28)32-25-41(40-39-32)27-21-23-29(24-22-27)43-35-13-5-7-15-37(35)44-38-16-8-6-14-36(38)43/h1-25H
InChIKeyVVTKVHNUPBCVAR-UHFFFAOYSA-N
MW567.65 g/mol
LogP9.61
Rot. Bonds4

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

10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine (PubChem CID 118281963) has the molecular formula C38H25N5O and a molecular weight of 567.65 g/mol. Its IUPAC name is 10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine
PubChem CID118281963
Molecular FormulaC38H25N5O
Molecular Weight567.65 g/mol
Exact Mass567.21
IUPAC Name10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nn2)cc1
InChIInChI=1S/C38H25N5O/c1-3-11-33-30(9-1)31-10-2-4-12-34(31)42(33)28-19-17-26(18-20-28)32-25-41(40-39-32)27-21-23-29(24-22-27)43-35-13-5-7-15-37(35)44-38-16-8-6-14-36(38)43/h1-25H
InChIKeyVVTKVHNUPBCVAR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine (CID 118281963) is 10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nn2)cc1.
What is the InChIKey of 10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine?
The InChIKey is VVTKVHNUPBCVAR-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)28-19-17-26(18-20-28)32-25-41(40-39-32)27-21-23-29(24-22-27)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-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine?
10-[4-[4-(4-carbazol-9-ylphenyl)triazol-1-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-[4-(4-carbazol-9-ylphenyl)triazol-1-yl]phenyl]phenoxazine is sourced from PubChem (CID 118281963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).