3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine

C58H35N5S — CID 118912242

IUPAC3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine
SMILESc1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5Sc5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc2c2nccnc32)cc1
InChIInChI=1S/C58H35N5S/c1-2-12-36(13-3-1)37-22-26-45-47(32-37)48-33-38(23-27-46(48)58-57(45)59-30-31-60-58)63-53-28-24-39(61-49-18-8-4-14-41(49)42-15-5-9-19-50(42)61)34-55(53)64-56-35-40(25-29-54(56)63)62-51-20-10-6-16-43(51)44-17-7-11-21-52(44)62/h1-35H
InChIKeyAGYKBMAGQLANKT-UHFFFAOYSA-N
MW834.02 g/mol
LogP15.73
Rot. Bonds4

About 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine

3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine (PubChem CID 118912242) has the molecular formula C58H35N5S and a molecular weight of 834.02 g/mol. Its IUPAC name is 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine.

Molecular Properties

Compound Name3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine
PubChem CID118912242
Molecular FormulaC58H35N5S
Molecular Weight834.02 g/mol
Exact Mass833.26
IUPAC Name3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine
SMILESc1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5Sc5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc2c2nccnc32)cc1
InChIInChI=1S/C58H35N5S/c1-2-12-36(13-3-1)37-22-26-45-47(32-37)48-33-38(23-27-46(48)58-57(45)59-30-31-60-58)63-53-28-24-39(61-49-18-8-4-14-41(49)42-15-5-9-19-50(42)61)34-55(53)64-56-35-40(25-29-54(56)63)62-51-20-10-6-16-43(51)44-17-7-11-21-52(44)62/h1-35H
InChIKeyAGYKBMAGQLANKT-UHFFFAOYSA-N
XLogP15.73
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.02
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(11-phenyltriphenylen-2-yl)phenothiazine
CID 121475719
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
CID 129089144
10-(3-phenylphenyl)-3-[3-(9-triphenylen-2-ylcarbazol-2-yl)phenyl]phenothiazine
CID 134475869
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833
10-[4-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064133
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-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063815
6-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063849
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine
CID 160675108
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

Frequently Asked Questions

What is the IUPAC name of 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine?
The IUPAC name of 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine (CID 118912242) is 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine.
What is the SMILES notation for 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine?
The canonical SMILES for 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine is c1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5Sc5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc2c2nccnc32)cc1.
What is the InChIKey of 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine?
The InChIKey is AGYKBMAGQLANKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5S/c1-2-12-36(13-3-1)37-22-26-45-47(32-37)48-33-38(23-27-46(48)58-57(45)59-30-31-60-58)63-53-28-24-39(61-49-18-8-4-14-41(49)42-15-5-9-19-50(42)61)34-55(53)64-56-35-40(25-29-54(56)63)62-51-20-10-6-16-43(51)44-17-7-11-21-52(44)62/h1-35H.
What are the key properties of 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine?
3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine has a molecular weight of 834.02 g/mol, XLogP of 15.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine is sourced from PubChem (CID 118912242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).