3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine

C48H30N4OS — CID 123360424

IUPAC3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine
SMILESc1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5cc(-n7c8ccccc8c8ccccc87)ccc5N6)ccc43)cc1O2
InChIInChI=1S/C48H30N4OS/c1-5-13-41-33(9-1)34-10-2-6-14-42(34)52(41)32-20-23-40-48(28-32)54-47-26-30(17-21-39(47)50-40)29-18-24-44-36(25-29)35-11-3-7-15-43(35)51(44)31-19-22-38-46(27-31)53-45-16-8-4-12-37(45)49-38/h1-28,49-50H
InChIKeyLEJQHWTVDPYSAY-UHFFFAOYSA-N
MW710.86 g/mol
LogP13.61
Rot. Bonds3

About 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine

3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine (PubChem CID 123360424) has the molecular formula C48H30N4OS and a molecular weight of 710.86 g/mol. Its IUPAC name is 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine.

Molecular Properties

Compound Name3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine
PubChem CID123360424
Molecular FormulaC48H30N4OS
Molecular Weight710.86 g/mol
Exact Mass710.21
IUPAC Name3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine
SMILESc1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5cc(-n7c8ccccc8c8ccccc87)ccc5N6)ccc43)cc1O2
InChIInChI=1S/C48H30N4OS/c1-5-13-41-33(9-1)34-10-2-6-14-42(34)52(41)32-20-23-40-48(28-32)54-47-26-30(17-21-39(47)50-40)29-18-24-44-36(25-29)35-11-3-7-15-43(35)51(44)31-19-22-38-46(27-31)53-45-16-8-4-12-37(45)49-38/h1-28,49-50H
InChIKeyLEJQHWTVDPYSAY-UHFFFAOYSA-N
XLogP13.61
TPSA43.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.86
LogP ≤ 513.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine?
The IUPAC name of 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine (CID 123360424) is 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine.
What is the SMILES notation for 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine?
The canonical SMILES for 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine is c1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5cc(-n7c8ccccc8c8ccccc87)ccc5N6)ccc43)cc1O2.
What is the InChIKey of 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine?
The InChIKey is LEJQHWTVDPYSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4OS/c1-5-13-41-33(9-1)34-10-2-6-14-42(34)52(41)32-20-23-40-48(28-32)54-47-26-30(17-21-39(47)50-40)29-18-24-44-36(25-29)35-11-3-7-15-43(35)51(44)31-19-22-38-46(27-31)53-45-16-8-4-12-37(45)49-38/h1-28,49-50H.
What are the key properties of 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine?
3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine has a molecular weight of 710.86 g/mol, XLogP of 13.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-carbazol-9-yl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazine is sourced from PubChem (CID 123360424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).