10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine

C59H39NO2 — CID 59302133

IUPAC10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine
SMILESCOc1ccc(N2c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3Oc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C59H39NO2/c1-61-43-32-30-42(31-33-43)60-52-34-28-40(58-48-24-12-8-20-44(48)56(38-16-4-2-5-17-38)45-21-9-13-25-49(45)58)36-54(52)62-55-37-41(29-35-53(55)60)59-50-26-14-10-22-46(50)57(39-18-6-3-7-19-39)47-23-11-15-27-51(47)59/h2-37H,1H3
InChIKeyLTPMCOHCBNRARZ-UHFFFAOYSA-N
MW793.97 g/mol
LogP16.55
Rot. Bonds6

About 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine

10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine (PubChem CID 59302133) has the molecular formula C59H39NO2 and a molecular weight of 793.97 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine.

Molecular Properties

Compound Name10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine
PubChem CID59302133
Molecular FormulaC59H39NO2
Molecular Weight793.97 g/mol
Exact Mass793.30
IUPAC Name10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine
SMILESCOc1ccc(N2c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3Oc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C59H39NO2/c1-61-43-32-30-42(31-33-43)60-52-34-28-40(58-48-24-12-8-20-44(48)56(38-16-4-2-5-17-38)45-21-9-13-25-49(45)58)36-54(52)62-55-37-41(29-35-53(55)60)59-50-26-14-10-22-46(50)57(39-18-6-3-7-19-39)47-23-11-15-27-51(47)59/h2-37H,1H3
InChIKeyLTPMCOHCBNRARZ-UHFFFAOYSA-N
XLogP16.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine
CID 170992137
3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
CID 126614259
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine
CID 155791050
6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione
CID 122430576
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
CID 59220247
10-(4-methoxyphenyl)-3,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
CID 59302117

Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine?
The IUPAC name of 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine (CID 59302133) is 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine.
What is the SMILES notation for 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine?
The canonical SMILES for 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine is COc1ccc(N2c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3Oc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc32)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine?
The InChIKey is LTPMCOHCBNRARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO2/c1-61-43-32-30-42(31-33-43)60-52-34-28-40(58-48-24-12-8-20-44(48)56(38-16-4-2-5-17-38)45-21-9-13-25-49(45)58)36-54(52)62-55-37-41(29-35-53(55)60)59-50-26-14-10-22-46(50)57(39-18-6-3-7-19-39)47-23-11-15-27-51(47)59/h2-37H,1H3.
What are the key properties of 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine?
10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine has a molecular weight of 793.97 g/mol, XLogP of 16.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine is sourced from PubChem (CID 59302133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).