10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine

C32H20N2OS — CID 123514977

IUPAC10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccc3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C32H20N2OS/c1-6-12-31-24(7-1)25-19-21-17-18-33(28(21)20-32(25)36-31)22-13-15-23(16-14-22)34-26-8-2-4-10-29(26)35-30-11-5-3-9-27(30)34/h1-20H
InChIKeyXFBKXHIWOOORSJ-UHFFFAOYSA-N
MW480.59 g/mol
LogP9.57
Rot. Bonds2

About 10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine

10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine (PubChem CID 123514977) has the molecular formula C32H20N2OS and a molecular weight of 480.59 g/mol. Its IUPAC name is 10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine
PubChem CID123514977
Molecular FormulaC32H20N2OS
Molecular Weight480.59 g/mol
Exact Mass480.13
IUPAC Name10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccc3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C32H20N2OS/c1-6-12-31-24(7-1)25-19-21-17-18-33(28(21)20-32(25)36-31)22-13-15-23(16-14-22)34-26-8-2-4-10-29(26)35-30-11-5-3-9-27(30)34/h1-20H
InChIKeyXFBKXHIWOOORSJ-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-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine (CID 123514977) is 10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccc3cc4c(cc32)sc2ccccc24)cc1.
What is the InChIKey of 10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine?
The InChIKey is XFBKXHIWOOORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2OS/c1-6-12-31-24(7-1)25-19-21-17-18-33(28(21)20-32(25)36-31)22-13-15-23(16-14-22)34-26-8-2-4-10-29(26)35-30-11-5-3-9-27(30)34/h1-20H.
What are the key properties of 10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine?
10-[4-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]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-([1]benzothiolo[3,2-f]indol-1-yl)phenyl]phenoxazine is sourced from PubChem (CID 123514977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).