10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine

C56H34N6O2 — CID 140917934

IUPAC10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c2nccnc12
InChIInChI=1S/C56H34N6O2/c1-3-15-41-37(13-1)39-33-35(59-45-17-5-9-21-51(45)63-52-22-10-6-18-46(52)59)25-27-43(39)61(41)49-29-30-50(56-55(49)57-31-32-58-56)62-42-16-4-2-14-38(42)40-34-36(26-28-44(40)62)60-47-19-7-11-23-53(47)64-54-24-12-8-20-48(54)60/h1-34H
InChIKeyXIJZPEHJBFCBBC-UHFFFAOYSA-N
MW822.93 g/mol
LogP14.98
Rot. Bonds4

About 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine

10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine (PubChem CID 140917934) has the molecular formula C56H34N6O2 and a molecular weight of 822.93 g/mol. Its IUPAC name is 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine.

Molecular Properties

Compound Name10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine
PubChem CID140917934
Molecular FormulaC56H34N6O2
Molecular Weight822.93 g/mol
Exact Mass822.27
IUPAC Name10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c2nccnc12
InChIInChI=1S/C56H34N6O2/c1-3-15-41-37(13-1)39-33-35(59-45-17-5-9-21-51(45)63-52-22-10-6-18-46(52)59)25-27-43(39)61(41)49-29-30-50(56-55(49)57-31-32-58-56)62-42-16-4-2-14-38(42)40-34-36(26-28-44(40)62)60-47-19-7-11-23-53(47)64-54-24-12-8-20-48(54)60/h1-34H
InChIKeyXIJZPEHJBFCBBC-UHFFFAOYSA-N
XLogP14.98
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.93
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine?
The IUPAC name of 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine (CID 140917934) is 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine.
What is the SMILES notation for 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine?
The canonical SMILES for 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c2nccnc12.
What is the InChIKey of 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine?
The InChIKey is XIJZPEHJBFCBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6O2/c1-3-15-41-37(13-1)39-33-35(59-45-17-5-9-21-51(45)63-52-22-10-6-18-46(52)59)25-27-43(39)61(41)49-29-30-50(56-55(49)57-31-32-58-56)62-42-16-4-2-14-38(42)40-34-36(26-28-44(40)62)60-47-19-7-11-23-53(47)64-54-24-12-8-20-48(54)60/h1-34H.
What are the key properties of 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine?
10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine has a molecular weight of 822.93 g/mol, XLogP of 14.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine is sourced from PubChem (CID 140917934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).