10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine

C58H36N2O2 — CID 59219996

IUPAC10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C58H36N2O2/c1-2-16-39-34-40(29-28-37(39)14-1)57-45-32-30-42(60-51-22-7-11-26-55(51)62-56-27-12-8-23-52(56)60)36-48(45)58(44-19-13-17-38-15-3-4-18-43(38)44)46-33-31-41(35-47(46)57)59-49-20-5-9-24-53(49)61-54-25-10-6-21-50(54)59/h1-36H
InChIKeyZCOGLCPNDGHVGU-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.78
Rot. Bonds4

About 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine

10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine (PubChem CID 59219996) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine.

Molecular Properties

Compound Name10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
PubChem CID59219996
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C58H36N2O2/c1-2-16-39-34-40(29-28-37(39)14-1)57-45-32-30-42(60-51-22-7-11-26-55(51)62-56-27-12-8-23-52(56)60)36-48(45)58(44-19-13-17-38-15-3-4-18-43(38)44)46-33-31-41(35-47(46)57)59-49-20-5-9-24-53(49)61-54-25-10-6-21-50(54)59/h1-36H
InChIKeyZCOGLCPNDGHVGU-UHFFFAOYSA-N
XLogP16.78
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59221101
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992
10-[9-(9,9-dimethylfluoren-2-yl)-10-(2-naphthalen-1-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219822
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220888
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220514
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754

Frequently Asked Questions

What is the IUPAC name of 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine?
The IUPAC name of 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine (CID 59219996) is 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine.
What is the SMILES notation for 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine?
The canonical SMILES for 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine?
The InChIKey is ZCOGLCPNDGHVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-16-39-34-40(29-28-37(39)14-1)57-45-32-30-42(60-51-22-7-11-26-55(51)62-56-27-12-8-23-52(56)60)36-48(45)58(44-19-13-17-38-15-3-4-18-43(38)44)46-33-31-41(35-47(46)57)59-49-20-5-9-24-53(49)61-54-25-10-6-21-50(54)59/h1-36H.
What are the key properties of 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine?
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine has a molecular weight of 792.94 g/mol, XLogP of 16.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine is sourced from PubChem (CID 59219996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).