10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine

C32H20N2OS — CID 123557330

IUPAC10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2c3ccccc3c3cc4ccsc4cc32)cc1
InChIInChI=1S/C32H20N2OS/c1-2-8-26-24(7-1)25-19-21-17-18-36-32(21)20-29(25)33(26)22-13-15-23(16-14-22)34-27-9-3-5-11-30(27)35-31-12-6-4-10-28(31)34/h1-20H
InChIKeyIXNDERICLVSKCU-UHFFFAOYSA-N
MW480.59 g/mol
LogP9.57
Rot. Bonds2

About 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine

10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine (PubChem CID 123557330) has the molecular formula C32H20N2OS and a molecular weight of 480.59 g/mol. Its IUPAC name is 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine
PubChem CID123557330
Molecular FormulaC32H20N2OS
Molecular Weight480.59 g/mol
Exact Mass480.13
IUPAC Name10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2c3ccccc3c3cc4ccsc4cc32)cc1
InChIInChI=1S/C32H20N2OS/c1-2-8-26-24(7-1)25-19-21-17-18-36-32(21)20-29(25)33(26)22-13-15-23(16-14-22)34-27-9-3-5-11-30(27)35-31-12-6-4-10-28(31)34/h1-20H
InChIKeyIXNDERICLVSKCU-UHFFFAOYSA-N
XLogP9.57
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine?
The IUPAC name of 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine (CID 123557330) is 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine.
What is the SMILES notation for 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine?
The canonical SMILES for 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2c3ccccc3c3cc4ccsc4cc32)cc1.
What is the InChIKey of 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine?
The InChIKey is IXNDERICLVSKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2OS/c1-2-8-26-24(7-1)25-19-21-17-18-36-32(21)20-29(25)33(26)22-13-15-23(16-14-22)34-27-9-3-5-11-30(27)35-31-12-6-4-10-28(31)34/h1-20H.
What are the key properties of 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine?
10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine has a molecular weight of 480.59 g/mol, XLogP of 9.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-thieno[2,3-b]carbazol-9-ylphenyl)phenoxazine is sourced from PubChem (CID 123557330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).