10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine

C47H30N4S — CID 90162845

IUPAC10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine
SMILESc1ccc(-c2ccc3c(n2)c2cc(-n4c5ccccc5c5cc(N6c7ccccc7Sc7ccccc76)ccc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C47H30N4S/c1-3-13-31(14-4-1)38-25-28-44-47(48-38)37-30-34(24-27-41(37)49(44)32-15-5-2-6-16-32)50-39-18-8-7-17-35(39)36-29-33(23-26-40(36)50)51-42-19-9-11-21-45(42)52-46-22-12-10-20-43(46)51/h1-30H
InChIKeyFWHZRRAARDULMJ-UHFFFAOYSA-N
MW682.85 g/mol
LogP12.88
Rot. Bonds4

About 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine

10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine (PubChem CID 90162845) has the molecular formula C47H30N4S and a molecular weight of 682.85 g/mol. Its IUPAC name is 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine.

Molecular Properties

Compound Name10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine
PubChem CID90162845
Molecular FormulaC47H30N4S
Molecular Weight682.85 g/mol
Exact Mass682.22
IUPAC Name10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine
SMILESc1ccc(-c2ccc3c(n2)c2cc(-n4c5ccccc5c5cc(N6c7ccccc7Sc7ccccc76)ccc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C47H30N4S/c1-3-13-31(14-4-1)38-25-28-44-47(48-38)37-30-34(24-27-41(37)49(44)32-15-5-2-6-16-32)50-39-18-8-7-17-35(39)36-29-33(23-26-40(36)50)51-42-19-9-11-21-45(42)52-46-22-12-10-20-43(46)51/h1-30H
InChIKeyFWHZRRAARDULMJ-UHFFFAOYSA-N
XLogP12.88
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)-2-phenylpyrido[3,2-b]indole;ethane
CID 144605218
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
CID 146187435
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
8-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-2-methyl-5-phenylpyrido[3,2-b]indole
CID 90162833
10-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenothiazine;3-carbazol-9-yl-10-methylphenothiazine;3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;3,7-di(carbazol-9-yl)-10-methylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;10-(9-methylcarbazol-3-yl)phenothiazine;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;10-(9-methyl-6-phenothiazin-10-ylcarbazol-3-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 159798260
2-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-2-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
CID 161134687
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
CID 129089144
10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 161232958
10-(3-phenylphenyl)-3-[3-(9-triphenylen-2-ylcarbazol-2-yl)phenyl]phenothiazine
CID 134475869

Frequently Asked Questions

What is the IUPAC name of 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine?
The IUPAC name of 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine (CID 90162845) is 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine.
What is the SMILES notation for 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine?
The canonical SMILES for 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine is c1ccc(-c2ccc3c(n2)c2cc(-n4c5ccccc5c5cc(N6c7ccccc7Sc7ccccc76)ccc54)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine?
The InChIKey is FWHZRRAARDULMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4S/c1-3-13-31(14-4-1)38-25-28-44-47(48-38)37-30-34(24-27-41(37)49(44)32-15-5-2-6-16-32)50-39-18-8-7-17-35(39)36-29-33(23-26-40(36)50)51-42-19-9-11-21-45(42)52-46-22-12-10-20-43(46)51/h1-30H.
What are the key properties of 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine?
10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine has a molecular weight of 682.85 g/mol, XLogP of 12.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine is sourced from PubChem (CID 90162845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).