3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine

C88H52N8O2 — CID 118912196

IUPAC3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccc2c(c1)c1cc(N3c4ccc(-n5c6ccccc6c6ccccc65)cc4Oc4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1c1nccnc21
InChIInChI=1S/C88H52N8O2/c1-9-25-71-59(17-1)60-18-2-10-26-72(60)91(71)55-35-41-79-83(49-55)97-84-50-56(92-73-27-11-3-19-61(73)62-20-4-12-28-74(62)92)36-42-80(84)95(79)53-33-39-67-69(47-53)70-48-54(34-40-68(70)88-87(67)89-45-46-90-88)96-81-43-37-57(93-75-29-13-5-21-63(75)64-22-6-14-30-76(64)93)51-85(81)98-86-52-58(38-44-82(86)96)94-77-31-15-7-23-65(77)66-24-8-16-32-78(66)94/h1-52H
InChIKeyRNDZAXZVWBWWTA-UHFFFAOYSA-N
MW1253.44 g/mol
LogP23.48
Rot. Bonds6

About 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine

3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine (PubChem CID 118912196) has the molecular formula C88H52N8O2 and a molecular weight of 1253.44 g/mol. Its IUPAC name is 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine.

Molecular Properties

Compound Name3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine
PubChem CID118912196
Molecular FormulaC88H52N8O2
Molecular Weight1253.44 g/mol
Exact Mass1252.42
IUPAC Name3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccc2c(c1)c1cc(N3c4ccc(-n5c6ccccc6c6ccccc65)cc4Oc4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1c1nccnc21
InChIInChI=1S/C88H52N8O2/c1-9-25-71-59(17-1)60-18-2-10-26-72(60)91(71)55-35-41-79-83(49-55)97-84-50-56(92-73-27-11-3-19-61(73)62-20-4-12-28-74(62)92)36-42-80(84)95(79)53-33-39-67-69(47-53)70-48-54(34-40-68(70)88-87(67)89-45-46-90-88)96-81-43-37-57(93-75-29-13-5-21-63(75)64-22-6-14-30-76(64)93)51-85(81)98-86-52-58(38-44-82(86)96)94-77-31-15-7-23-65(77)66-24-8-16-32-78(66)94/h1-52H
InChIKeyRNDZAXZVWBWWTA-UHFFFAOYSA-N
XLogP23.48
TPSA70.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.44
LogP ≤ 523.48
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 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine?
The IUPAC name of 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine (CID 118912196) is 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine.
What is the SMILES notation for 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine?
The canonical SMILES for 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccc2c(c1)c1cc(N3c4ccc(-n5c6ccccc6c6ccccc65)cc4Oc4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1c1nccnc21.
What is the InChIKey of 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine?
The InChIKey is RNDZAXZVWBWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N8O2/c1-9-25-71-59(17-1)60-18-2-10-26-72(60)91(71)55-35-41-79-83(49-55)97-84-50-56(92-73-27-11-3-19-61(73)62-20-4-12-28-74(62)92)36-42-80(84)95(79)53-33-39-67-69(47-53)70-48-54(34-40-68(70)88-87(67)89-45-46-90-88)96-81-43-37-57(93-75-29-13-5-21-63(75)64-22-6-14-30-76(64)93)51-85(81)98-86-52-58(38-44-82(86)96)94-77-31-15-7-23-65(77)66-24-8-16-32-78(66)94/h1-52H.
What are the key properties of 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine?
3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine has a molecular weight of 1253.44 g/mol, XLogP of 23.48, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine is sourced from PubChem (CID 118912196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).