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

C56H33N7O — CID 129089145

IUPAC3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine
SMILESc1ccc(-c2ccc3c4nccnc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Oc6cc(-n7c8ccccc8c8ccccc87)ccc65)nc4c3n2)cc1
InChIInChI=1S/C56H33N7O/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
InChIKeyJRCBWFPTZNFTEJ-UHFFFAOYSA-N
MW819.93 g/mol
LogP14.16
Rot. Bonds4

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

3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine (PubChem CID 129089145) has the molecular formula C56H33N7O and a molecular weight of 819.93 g/mol. Its IUPAC name is 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine.

Molecular Properties

Compound Name3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine
PubChem CID129089145
Molecular FormulaC56H33N7O
Molecular Weight819.93 g/mol
Exact Mass819.27
IUPAC Name3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine
SMILESc1ccc(-c2ccc3c4nccnc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Oc6cc(-n7c8ccccc8c8ccccc87)ccc65)nc4c3n2)cc1
InChIInChI=1S/C56H33N7O/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
InChIKeyJRCBWFPTZNFTEJ-UHFFFAOYSA-N
XLogP14.16
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.93
LogP ≤ 514.16
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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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)phenoxazine?
The IUPAC name of 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine (CID 129089145) is 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine.
What is the SMILES notation for 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine?
The canonical SMILES for 3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine is c1ccc(-c2ccc3c4nccnc4c4ccc(N5c6ccc(-n7c8ccccc8c8ccccc87)cc6Oc6cc(-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)phenoxazine?
The InChIKey is JRCBWFPTZNFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N7O/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)phenoxazine?
3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenoxazine has a molecular weight of 819.93 g/mol, XLogP of 14.16, 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)phenoxazine is sourced from PubChem (CID 129089145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).