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

C62H36N8O2 — CID 129089061

IUPAC10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)c1nccnc1c1cc(-n3c4ccccc4c4cc(N5c6ccccc6Oc6ccccc65)ccc43)cnc12
InChIInChI=1S/C62H36N8O2/c1-3-15-47-41(13-1)43-31-37(67-51-17-5-9-21-55(51)71-56-22-10-6-18-52(56)67)25-27-49(43)69(47)39-33-45-59-60(64-30-29-63-59)46-34-40(36-66-62(46)61(45)65-35-39)70-48-16-4-2-14-42(48)44-32-38(26-28-50(44)70)68-53-19-7-11-23-57(53)72-58-24-12-8-20-54(58)68/h1-36H
InChIKeyRXKXLLQEKDMFSL-UHFFFAOYSA-N
MW925.02 g/mol
LogP16.07
Rot. Bonds4

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

10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine (PubChem CID 129089061) has the molecular formula C62H36N8O2 and a molecular weight of 925.02 g/mol. Its IUPAC name is 10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine.

Molecular Properties

Compound Name10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine
PubChem CID129089061
Molecular FormulaC62H36N8O2
Molecular Weight925.02 g/mol
Exact Mass924.30
IUPAC Name10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)c1nccnc1c1cc(-n3c4ccccc4c4cc(N5c6ccccc6Oc6ccccc65)ccc43)cnc12
InChIInChI=1S/C62H36N8O2/c1-3-15-47-41(13-1)43-31-37(67-51-17-5-9-21-55(51)71-56-22-10-6-18-52(56)67)25-27-49(43)69(47)39-33-45-59-60(64-30-29-63-59)46-34-40(36-66-62(46)61(45)65-35-39)70-48-16-4-2-14-42(48)44-32-38(26-28-50(44)70)68-53-19-7-11-23-57(53)72-58-24-12-8-20-54(58)68/h1-36H
InChIKeyRXKXLLQEKDMFSL-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-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine?
The IUPAC name of 10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine (CID 129089061) is 10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine.
What is the SMILES notation for 10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine?
The canonical SMILES for 10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)c1nccnc1c1cc(-n3c4ccccc4c4cc(N5c6ccccc6Oc6ccccc65)ccc43)cnc12.
What is the InChIKey of 10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine?
The InChIKey is RXKXLLQEKDMFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N8O2/c1-3-15-47-41(13-1)43-31-37(67-51-17-5-9-21-55(51)71-56-22-10-6-18-52(56)67)25-27-49(43)69(47)39-33-45-59-60(64-30-29-63-59)46-34-40(36-66-62(46)61(45)65-35-39)70-48-16-4-2-14-42(48)44-32-38(26-28-50(44)70)68-53-19-7-11-23-57(53)72-58-24-12-8-20-54(58)68/h1-36H.
What are the key properties of 10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine?
10-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-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-[9-[6-(3-phenoxazin-10-ylcarbazol-9-yl)pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-yl]phenoxazine is sourced from PubChem (CID 129089061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).