10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

C70H44N2O2 — CID 59221101

IUPAC10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccccc3-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccccc3-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C70H44N2O2/c1-3-19-47-41-49(35-33-45(47)17-1)53-21-5-7-23-55(53)69-57-39-37-52(72-63-27-11-15-31-67(63)74-68-32-16-12-28-64(68)72)44-60(57)70(56-24-8-6-22-54(56)50-36-34-46-18-2-4-20-48(46)42-50)58-40-38-51(43-59(58)69)71-61-25-9-13-29-65(61)73-66-30-14-10-26-62(66)71/h1-44H
InChIKeyQVBRPVNNXFPSIM-UHFFFAOYSA-N
MW945.13 g/mol
LogP20.12
Rot. Bonds6

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

10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (PubChem CID 59221101) has the molecular formula C70H44N2O2 and a molecular weight of 945.13 g/mol. Its IUPAC name is 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
PubChem CID59221101
Molecular FormulaC70H44N2O2
Molecular Weight945.13 g/mol
Exact Mass944.34
IUPAC Name10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccccc3-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccccc3-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C70H44N2O2/c1-3-19-47-41-49(35-33-45(47)17-1)53-21-5-7-23-55(53)69-57-39-37-52(72-63-27-11-15-31-67(63)74-68-32-16-12-28-64(68)72)44-60(57)70(56-24-8-6-22-54(56)50-36-34-46-18-2-4-20-48(46)42-50)58-40-38-51(43-59(58)69)71-61-25-9-13-29-65(61)73-66-30-14-10-26-62(66)71/h1-44H
InChIKeyQVBRPVNNXFPSIM-UHFFFAOYSA-N
XLogP20.12
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.13
LogP ≤ 520.12
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-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
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
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219982
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
10-[9-(9,9-dimethylfluoren-2-yl)-10-(2-naphthalen-1-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219822
10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916

Frequently Asked Questions

What is the IUPAC name of 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The IUPAC name of 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (CID 59221101) is 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccccc3-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccccc3-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The InChIKey is QVBRPVNNXFPSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O2/c1-3-19-47-41-49(35-33-45(47)17-1)53-21-5-7-23-55(53)69-57-39-37-52(72-63-27-11-15-31-67(63)74-68-32-16-12-28-64(68)72)44-60(57)70(56-24-8-6-22-54(56)50-36-34-46-18-2-4-20-48(46)42-50)58-40-38-51(43-59(58)69)71-61-25-9-13-29-65(61)73-66-30-14-10-26-62(66)71/h1-44H.
What are the key properties of 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine has a molecular weight of 945.13 g/mol, XLogP of 20.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is sourced from PubChem (CID 59221101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).