10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine

C38H25N3O — CID 118316009

IUPAC10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c3ccccc3c3ccc4ccn(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)c4c32)cc1
InChIInChI=1S/C38H25N3O/c1-2-11-27(12-3-1)41-32-16-5-4-15-30(32)31-22-21-26-23-24-39(37(26)38(31)41)28-13-10-14-29(25-28)40-33-17-6-8-19-35(33)42-36-20-9-7-18-34(36)40/h1-25H
InChIKeyZFLOFCFEVUCXDP-UHFFFAOYSA-N
MW539.64 g/mol
LogP10.30
Rot. Bonds3

About 10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine

10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine (PubChem CID 118316009) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine
PubChem CID118316009
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c3ccccc3c3ccc4ccn(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)c4c32)cc1
InChIInChI=1S/C38H25N3O/c1-2-11-27(12-3-1)41-32-16-5-4-15-30(32)31-22-21-26-23-24-39(37(26)38(31)41)28-13-10-14-29(25-28)40-33-17-6-8-19-35(33)42-36-20-9-7-18-34(36)40/h1-25H
InChIKeyZFLOFCFEVUCXDP-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-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine (CID 118316009) is 10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine is c1ccc(-n2c3ccccc3c3ccc4ccn(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)c4c32)cc1.
What is the InChIKey of 10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine?
The InChIKey is ZFLOFCFEVUCXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-2-11-27(12-3-1)41-32-16-5-4-15-30(32)31-22-21-26-23-24-39(37(26)38(31)41)28-13-10-14-29(25-28)40-33-17-6-8-19-35(33)42-36-20-9-7-18-34(36)40/h1-25H.
What are the key properties of 10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine?
10-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]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-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine is sourced from PubChem (CID 118316009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).