10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine

C35H23N3O — CID 59372059

IUPAC10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C35H23N3O/c1-3-11-30-28(9-1)29-10-2-4-12-31(29)37(30)26-19-17-24(18-20-26)25-21-27(23-36-22-25)38-32-13-5-7-15-34(32)39-35-16-8-6-14-33(35)38/h1-23H
InChIKeyLJXOAAVOKBNKNN-UHFFFAOYSA-N
MW501.59 g/mol
LogP9.42
Rot. Bonds3

About 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine

10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine (PubChem CID 59372059) has the molecular formula C35H23N3O and a molecular weight of 501.59 g/mol. Its IUPAC name is 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine
PubChem CID59372059
Molecular FormulaC35H23N3O
Molecular Weight501.59 g/mol
Exact Mass501.18
IUPAC Name10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C35H23N3O/c1-3-11-30-28(9-1)29-10-2-4-12-31(29)37(30)26-19-17-24(18-20-26)25-21-27(23-36-22-25)38-32-13-5-7-15-34(32)39-35-16-8-6-14-33(35)38/h1-23H
InChIKeyLJXOAAVOKBNKNN-UHFFFAOYSA-N
XLogP9.42
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine?
The IUPAC name of 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine (CID 59372059) is 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine?
The canonical SMILES for 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine?
The InChIKey is LJXOAAVOKBNKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O/c1-3-11-30-28(9-1)29-10-2-4-12-31(29)37(30)26-19-17-24(18-20-26)25-21-27(23-36-22-25)38-32-13-5-7-15-34(32)39-35-16-8-6-14-33(35)38/h1-23H.
What are the key properties of 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine?
10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine has a molecular weight of 501.59 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine is sourced from PubChem (CID 59372059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).