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

C32H20N2OS — CID 123679487

IUPAC10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccc3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C32H20N2OS/c1-6-12-31-23(7-1)24-17-18-26-25(32(24)36-31)19-20-33(26)21-13-15-22(16-14-21)34-27-8-2-4-10-29(27)35-30-11-5-3-9-28(30)34/h1-20H
InChIKeyIOXMBHVVIILEGO-UHFFFAOYSA-N
MW480.59 g/mol
LogP9.57
Rot. Bonds2

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

10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine (PubChem CID 123679487) has the molecular formula C32H20N2OS and a molecular weight of 480.59 g/mol. Its IUPAC name is 10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine
PubChem CID123679487
Molecular FormulaC32H20N2OS
Molecular Weight480.59 g/mol
Exact Mass480.13
IUPAC Name10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccc3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C32H20N2OS/c1-6-12-31-23(7-1)24-17-18-26-25(32(24)36-31)19-20-33(26)21-13-15-22(16-14-21)34-27-8-2-4-10-29(27)35-30-11-5-3-9-28(30)34/h1-20H
InChIKeyIOXMBHVVIILEGO-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[2,3-e]indol-3-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine (CID 123679487) is 10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccc3c4sc5ccccc5c4ccc32)cc1.
What is the InChIKey of 10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine?
The InChIKey is IOXMBHVVIILEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2OS/c1-6-12-31-23(7-1)24-17-18-26-25(32(24)36-31)19-20-33(26)21-13-15-22(16-14-21)34-27-8-2-4-10-29(27)35-30-11-5-3-9-28(30)34/h1-20H.
What are the key properties of 10-[4-([1]benzothiolo[2,3-e]indol-3-yl)phenyl]phenoxazine?
10-[4-([1]benzothiolo[2,3-e]indol-3-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[2,3-e]indol-3-yl)phenyl]phenoxazine is sourced from PubChem (CID 123679487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).