10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine

C62H36N8O2 — CID 129089112

IUPAC10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12
InChIInChI=1S/C62H36N8O2/c1-5-21-45-39(17-1)40-18-2-6-22-46(40)69(45)61-62(70-47-23-7-3-19-41(47)42-20-4-8-24-48(42)70)66-60-44-34-38(68-51-27-11-15-31-55(51)72-56-32-16-12-28-52(56)68)36-64-58(44)57-43(59(60)65-61)33-37(35-63-57)67-49-25-9-13-29-53(49)71-54-30-14-10-26-50(54)67/h1-36H
InChIKeyNCTPRIHYMBIPPC-UHFFFAOYSA-N
MW925.02 g/mol
LogP16.07
Rot. Bonds4

About 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine

10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine (PubChem CID 129089112) has the molecular formula C62H36N8O2 and a molecular weight of 925.02 g/mol. Its IUPAC name is 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine.

Molecular Properties

Compound Name10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine
PubChem CID129089112
Molecular FormulaC62H36N8O2
Molecular Weight925.02 g/mol
Exact Mass924.30
IUPAC Name10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12
InChIInChI=1S/C62H36N8O2/c1-5-21-45-39(17-1)40-18-2-6-22-46(40)69(45)61-62(70-47-23-7-3-19-41(47)42-20-4-8-24-48(42)70)66-60-44-34-38(68-51-27-11-15-31-55(51)72-56-32-16-12-28-52(56)68)36-64-58(44)57-43(59(60)65-61)33-37(35-63-57)67-49-25-9-13-29-53(49)71-54-30-14-10-26-50(54)67/h1-36H
InChIKeyNCTPRIHYMBIPPC-UHFFFAOYSA-N
XLogP16.07
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.02
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine?
The IUPAC name of 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine (CID 129089112) is 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine.
What is the SMILES notation for 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine?
The canonical SMILES for 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12.
What is the InChIKey of 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine?
The InChIKey is NCTPRIHYMBIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N8O2/c1-5-21-45-39(17-1)40-18-2-6-22-46(40)69(45)61-62(70-47-23-7-3-19-41(47)42-20-4-8-24-48(42)70)66-60-44-34-38(68-51-27-11-15-31-55(51)72-56-32-16-12-28-52(56)68)36-64-58(44)57-43(59(60)65-61)33-37(35-63-57)67-49-25-9-13-29-53(49)71-54-30-14-10-26-50(54)67/h1-36H.
What are the key properties of 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine?
10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine has a molecular weight of 925.02 g/mol, XLogP of 16.07, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,3-di(carbazol-9-yl)-6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl]phenoxazine is sourced from PubChem (CID 129089112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).