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

C44H29N3O — CID 118315773

IUPAC10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine
SMILESc1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c23)cc1
InChIInChI=1S/C44H29N3O/c1-3-14-30(15-4-1)37-29-45(31-16-5-2-6-17-31)43-36(37)27-26-35-34-20-7-8-21-38(34)47(44(35)43)33-19-13-18-32(28-33)46-39-22-9-11-24-41(39)48-42-25-12-10-23-40(42)46/h1-29H
InChIKeyXJSHCCKEYDDAFE-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.97
Rot. Bonds4

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

10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine (PubChem CID 118315773) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine
PubChem CID118315773
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine
SMILESc1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c23)cc1
InChIInChI=1S/C44H29N3O/c1-3-14-30(15-4-1)37-29-45(31-16-5-2-6-17-31)43-36(37)27-26-35-34-20-7-8-21-38(34)47(44(35)43)33-19-13-18-32(28-33)46-39-22-9-11-24-41(39)48-42-25-12-10-23-40(42)46/h1-29H
InChIKeyXJSHCCKEYDDAFE-UHFFFAOYSA-N
XLogP11.97
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine (CID 118315773) is 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine is c1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c23)cc1.
What is the InChIKey of 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine?
The InChIKey is XJSHCCKEYDDAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-3-14-30(15-4-1)37-29-45(31-16-5-2-6-17-31)43-36(37)27-26-35-34-20-7-8-21-38(34)47(44(35)43)33-19-13-18-32(28-33)46-39-22-9-11-24-41(39)48-42-25-12-10-23-40(42)46/h1-29H.
What are the key properties of 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine?
10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine has a molecular weight of 615.74 g/mol, XLogP of 11.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]phenoxazine is sourced from PubChem (CID 118315773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).