3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine

C56H33N7S — CID 129089144

IUPAC3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
SMILESc1ccc(-c2ccc3c4nccnc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Sc6cc(-n7c8ccccc8c8ccccc87)ccc65)nc4c3n2)cc1
InChIInChI=1S/C56H33N7S/c1-2-12-34(13-3-1)43-26-24-41-53-54(58-31-30-57-53)42-25-29-52(60-56(42)55(41)59-43)63-48-27-22-35(61-44-18-8-4-14-37(44)38-15-5-9-19-45(38)61)32-50(48)64-51-33-36(23-28-49(51)63)62-46-20-10-6-16-39(46)40-17-7-11-21-47(40)62/h1-33H
InChIKeyCBDBEMSBEQZIRG-UHFFFAOYSA-N
MW836.00 g/mol
LogP14.52
Rot. Bonds4

About 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine

3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine (PubChem CID 129089144) has the molecular formula C56H33N7S and a molecular weight of 836.00 g/mol. Its IUPAC name is 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine.

Molecular Properties

Compound Name3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
PubChem CID129089144
Molecular FormulaC56H33N7S
Molecular Weight836.00 g/mol
Exact Mass835.25
IUPAC Name3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
SMILESc1ccc(-c2ccc3c4nccnc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Sc6cc(-n7c8ccccc8c8ccccc87)ccc65)nc4c3n2)cc1
InChIInChI=1S/C56H33N7S/c1-2-12-34(13-3-1)43-26-24-41-53-54(58-31-30-57-53)42-25-29-52(60-56(42)55(41)59-43)63-48-27-22-35(61-44-18-8-4-14-37(44)38-15-5-9-19-45(38)61)32-50(48)64-51-33-36(23-28-49(51)63)62-46-20-10-6-16-39(46)40-17-7-11-21-47(40)62/h1-33H
InChIKeyCBDBEMSBEQZIRG-UHFFFAOYSA-N
XLogP14.52
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.00
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline
CID 129089148
3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
CID 129089164
3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine
CID 118912242
10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine
CID 90162845
3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
CID 121475719
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080
16-phenyl-9-triphenylen-2-yl-9,12,15-triazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14(19),15,17,20-decaene
CID 163549129
8-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)-2-phenylpyrido[3,2-b]indole;ethane
CID 144605218
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine
CID 129089141
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369583
3-[4-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063888

Frequently Asked Questions

What is the IUPAC name of 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine?
The IUPAC name of 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine (CID 129089144) is 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine.
What is the SMILES notation for 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine?
The canonical SMILES for 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine is c1ccc(-c2ccc3c4nccnc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Sc6cc(-n7c8ccccc8c8ccccc87)ccc65)nc4c3n2)cc1.
What is the InChIKey of 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine?
The InChIKey is CBDBEMSBEQZIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N7S/c1-2-12-34(13-3-1)43-26-24-41-53-54(58-31-30-57-53)42-25-29-52(60-56(42)55(41)59-43)63-48-27-22-35(61-44-18-8-4-14-37(44)38-15-5-9-19-45(38)61)32-50(48)64-51-33-36(23-28-49(51)63)62-46-20-10-6-16-39(46)40-17-7-11-21-47(40)62/h1-33H.
What are the key properties of 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine?
3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine has a molecular weight of 836.00 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine is sourced from PubChem (CID 129089144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).