3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine

C76H48N6OS — CID 130354396

IUPAC3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)Sc4cc(-n6c7ccccc7c7ccccc76)ccc4N5c4ccc(-c5ccncc5)cc4)cc3)ccc1N2c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C76H48N6OS/c1-4-12-65-61(9-1)62-10-2-5-13-66(62)82(65)60-32-36-72-76(48-60)84-75-47-56(25-35-71(75)81(72)59-28-19-50(20-29-59)53-39-43-78-44-40-53)51-21-30-57(31-22-51)79-67-14-6-3-11-63(67)64-45-54(23-33-68(64)79)55-24-34-70-74(46-55)83-73-16-8-7-15-69(73)80(70)58-26-17-49(18-27-58)52-37-41-77-42-38-52/h1-48H
InChIKeyIKCJKYNUVNOTPR-UHFFFAOYSA-N
MW1093.33 g/mol
LogP20.85
Rot. Bonds8

About 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine

3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine (PubChem CID 130354396) has the molecular formula C76H48N6OS and a molecular weight of 1093.33 g/mol. Its IUPAC name is 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine.

Molecular Properties

Compound Name3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine
PubChem CID130354396
Molecular FormulaC76H48N6OS
Molecular Weight1093.33 g/mol
Exact Mass1092.36
IUPAC Name3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)Sc4cc(-n6c7ccccc7c7ccccc76)ccc4N5c4ccc(-c5ccncc5)cc4)cc3)ccc1N2c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C76H48N6OS/c1-4-12-65-61(9-1)62-10-2-5-13-66(62)82(65)60-32-36-72-76(48-60)84-75-47-56(25-35-71(75)81(72)59-28-19-50(20-29-59)53-39-43-78-44-40-53)51-21-30-57(31-22-51)79-67-14-6-3-11-63(67)64-45-54(23-33-68(64)79)55-24-34-70-74(46-55)83-73-16-8-7-15-69(73)80(70)58-26-17-49(18-27-58)52-37-41-77-42-38-52/h1-48H
InChIKeyIKCJKYNUVNOTPR-UHFFFAOYSA-N
XLogP20.85
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.33
LogP ≤ 520.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine?
The IUPAC name of 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine (CID 130354396) is 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine.
What is the SMILES notation for 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine?
The canonical SMILES for 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine is c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)Sc4cc(-n6c7ccccc7c7ccccc76)ccc4N5c4ccc(-c5ccncc5)cc4)cc3)ccc1N2c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine?
The InChIKey is IKCJKYNUVNOTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N6OS/c1-4-12-65-61(9-1)62-10-2-5-13-66(62)82(65)60-32-36-72-76(48-60)84-75-47-56(25-35-71(75)81(72)59-28-19-50(20-29-59)53-39-43-78-44-40-53)51-21-30-57(31-22-51)79-67-14-6-3-11-63(67)64-45-54(23-33-68(64)79)55-24-34-70-74(46-55)83-73-16-8-7-15-69(73)80(70)58-26-17-49(18-27-58)52-37-41-77-42-38-52/h1-48H.
What are the key properties of 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine?
3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine has a molecular weight of 1093.33 g/mol, XLogP of 20.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[7-carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine is sourced from PubChem (CID 130354396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).