10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine

C48H31N3O — CID 90126264

IUPAC10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C48H31N3O/c1-3-17-33(18-4-1)50-40-24-9-7-22-36(40)39-31-38(46-37-23-8-10-25-41(37)51(48(46)47(39)50)34-19-5-2-6-20-34)32-16-15-21-35(30-32)49-42-26-11-13-28-44(42)52-45-29-14-12-27-43(45)49/h1-31H
InChIKeyKNDMITWXSVLSGO-UHFFFAOYSA-N
MW665.80 g/mol
LogP13.12
Rot. Bonds4

About 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine

10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine (PubChem CID 90126264) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine
PubChem CID90126264
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC Name10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C48H31N3O/c1-3-17-33(18-4-1)50-40-24-9-7-22-36(40)39-31-38(46-37-23-8-10-25-41(37)51(48(46)47(39)50)34-19-5-2-6-20-34)32-16-15-21-35(30-32)49-42-26-11-13-28-44(42)52-45-29-14-12-27-43(45)49/h1-31H
InChIKeyKNDMITWXSVLSGO-UHFFFAOYSA-N
XLogP13.12
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine (CID 90126264) is 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine?
The InChIKey is KNDMITWXSVLSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-3-17-33(18-4-1)50-40-24-9-7-22-36(40)39-31-38(46-37-23-8-10-25-41(37)51(48(46)47(39)50)34-19-5-2-6-20-34)32-16-15-21-35(30-32)49-42-26-11-13-28-44(42)52-45-29-14-12-27-43(45)49/h1-31H.
What are the key properties of 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine?
10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine has a molecular weight of 665.80 g/mol, XLogP of 13.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine is sourced from PubChem (CID 90126264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).