3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine

C60H37N3S — CID 121475719

IUPAC3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
SMILESc1ccc(-c2ccc3c4ccccc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Sc6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1
InChIInChI=1S/C60H37N3S/c1-2-14-38(15-3-1)39-26-30-45-43-16-4-5-17-44(43)46-31-27-40(35-52(46)51(45)34-39)63-57-32-28-41(61-53-22-10-6-18-47(53)48-19-7-11-23-54(48)61)36-59(57)64-60-37-42(29-33-58(60)63)62-55-24-12-8-20-49(55)50-21-9-13-25-56(50)62/h1-37H
InChIKeyPBBKFOHWGLUJSO-UHFFFAOYSA-N
MW832.04 g/mol
LogP16.94
Rot. Bonds4

About 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine

3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine (PubChem CID 121475719) has the molecular formula C60H37N3S and a molecular weight of 832.04 g/mol. Its IUPAC name is 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine.

Molecular Properties

Compound Name3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
PubChem CID121475719
Molecular FormulaC60H37N3S
Molecular Weight832.04 g/mol
Exact Mass831.27
IUPAC Name3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
SMILESc1ccc(-c2ccc3c4ccccc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Sc6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1
InChIInChI=1S/C60H37N3S/c1-2-14-38(15-3-1)39-26-30-45-43-16-4-5-17-44(43)46-31-27-40(35-52(46)51(45)34-39)63-57-32-28-41(61-53-22-10-6-18-47(53)48-19-7-11-23-54(48)61)36-59(57)64-60-37-42(29-33-58(60)63)62-55-24-12-8-20-49(55)50-21-9-13-25-56(50)62/h1-37H
InChIKeyPBBKFOHWGLUJSO-UHFFFAOYSA-N
XLogP16.94
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.04
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine
CID 118912242
10-(3-phenylphenyl)-3-[3-(9-triphenylen-2-ylcarbazol-2-yl)phenyl]phenothiazine
CID 134475869
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
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
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
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
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 147253407
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 142356273
3,7-bis(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methyl-7-(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3,7-bis(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3-(4-phenothiazin-10-ylphenyl)phenothiazine
CID 159482320

Frequently Asked Questions

What is the IUPAC name of 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine?
The IUPAC name of 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine (CID 121475719) is 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine.
What is the SMILES notation for 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine?
The canonical SMILES for 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine is c1ccc(-c2ccc3c4ccccc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Sc6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.
What is the InChIKey of 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine?
The InChIKey is PBBKFOHWGLUJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3S/c1-2-14-38(15-3-1)39-26-30-45-43-16-4-5-17-44(43)46-31-27-40(35-52(46)51(45)34-39)63-57-32-28-41(61-53-22-10-6-18-47(53)48-19-7-11-23-54(48)61)36-59(57)64-60-37-42(29-33-58(60)63)62-55-24-12-8-20-49(55)50-21-9-13-25-56(50)62/h1-37H.
What are the key properties of 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine?
3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine has a molecular weight of 832.04 g/mol, XLogP of 16.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine is sourced from PubChem (CID 121475719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).