10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

C60H36N4O2 — CID 59219798

IUPAC10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C60H36N4O2/c1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-36H
InChIKeyUUDFHGLPPATLFV-UHFFFAOYSA-N
MW844.97 g/mol
LogP16.73
Rot. Bonds4

About 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (PubChem CID 59219798) has the molecular formula C60H36N4O2 and a molecular weight of 844.97 g/mol. Its IUPAC name is 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
PubChem CID59219798
Molecular FormulaC60H36N4O2
Molecular Weight844.97 g/mol
Exact Mass844.28
IUPAC Name10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C60H36N4O2/c1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-36H
InChIKeyUUDFHGLPPATLFV-UHFFFAOYSA-N
XLogP16.73
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.97
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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3,6-Bis(4-methylpiperazin-1-yl)-11-phenoxyphenanthro[9,10-b]quinoxaline
CID 166635861
N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine)
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1-(4-Methoxyphenyl)-3-naphthalen-2-ylbenzo[f][1,7]naphthyridine
CID 137652202
1,10-Phenanthroline, 4,7-diphenoxy-
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CID 132526323
8-[[3-(Quinolin-8-yloxymethyl)naphthalen-2-yl]methoxy]quinoline
CID 76309065
2,3-Bis(quinolin-8-yloxymethyl)quinoxaline
CID 76323629
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CID 59392644

Frequently Asked Questions

What is the IUPAC name of 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The IUPAC name of 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (CID 59219798) is 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The InChIKey is UUDFHGLPPATLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4O2/c1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-36H.
What are the key properties of 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine has a molecular weight of 844.97 g/mol, XLogP of 16.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is sourced from PubChem (CID 59219798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).