10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine

C38H25N3O — CID 118316078

IUPAC10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine
SMILESc1ccc(-n2ccc3ccc4c5cc(N6c7ccccc7Oc7ccccc76)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C38H25N3O/c1-3-11-27(12-4-1)39-24-23-26-19-21-30-31-25-29(20-22-32(31)41(38(30)37(26)39)28-13-5-2-6-14-28)40-33-15-7-9-17-35(33)42-36-18-10-8-16-34(36)40/h1-25H
InChIKeyJBWCBISQMVRUPW-UHFFFAOYSA-N
MW539.64 g/mol
LogP10.30
Rot. Bonds3

About 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine

10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine (PubChem CID 118316078) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine.

Molecular Properties

Compound Name10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine
PubChem CID118316078
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine
SMILESc1ccc(-n2ccc3ccc4c5cc(N6c7ccccc7Oc7ccccc76)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C38H25N3O/c1-3-11-27(12-4-1)39-24-23-26-19-21-30-31-25-29(20-22-32(31)41(38(30)37(26)39)28-13-5-2-6-14-28)40-33-15-7-9-17-35(33)42-36-18-10-8-16-34(36)40/h1-25H
InChIKeyJBWCBISQMVRUPW-UHFFFAOYSA-N
XLogP10.30
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine?
The IUPAC name of 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine (CID 118316078) is 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine.
What is the SMILES notation for 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine?
The canonical SMILES for 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine is c1ccc(-n2ccc3ccc4c5cc(N6c7ccccc7Oc7ccccc76)ccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine?
The InChIKey is JBWCBISQMVRUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-3-11-27(12-4-1)39-24-23-26-19-21-30-31-25-29(20-22-32(31)41(38(30)37(26)39)28-13-5-2-6-14-28)40-33-15-7-9-17-35(33)42-36-18-10-8-16-34(36)40/h1-25H.
What are the key properties of 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine?
10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine has a molecular weight of 539.64 g/mol, XLogP of 10.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine is sourced from PubChem (CID 118316078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).