10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine

C70H44N2O2 — CID 59219992

IUPAC10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
SMILESc1ccc(-c2cc3ccccc3cc2-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3cc4ccccc4cc3-c3ccccc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)cc1
InChIInChI=1S/C70H44N2O2/c1-3-19-45(20-4-1)55-39-47-23-7-9-25-49(47)41-57(55)69-53-37-35-52(72-63-29-13-17-33-67(63)74-68-34-18-14-30-64(68)72)44-60(53)70(58-42-50-26-10-8-24-48(50)40-56(58)46-21-5-2-6-22-46)54-38-36-51(43-59(54)69)71-61-27-11-15-31-65(61)73-66-32-16-12-28-62(66)71/h1-44H
InChIKeyVAAVEDANAIWFQE-UHFFFAOYSA-N
MW945.13 g/mol
LogP20.12
Rot. Bonds6

About 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine

10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine (PubChem CID 59219992) has the molecular formula C70H44N2O2 and a molecular weight of 945.13 g/mol. Its IUPAC name is 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
PubChem CID59219992
Molecular FormulaC70H44N2O2
Molecular Weight945.13 g/mol
Exact Mass944.34
IUPAC Name10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
SMILESc1ccc(-c2cc3ccccc3cc2-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3cc4ccccc4cc3-c3ccccc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)cc1
InChIInChI=1S/C70H44N2O2/c1-3-19-45(20-4-1)55-39-47-23-7-9-25-49(47)41-57(55)69-53-37-35-52(72-63-29-13-17-33-67(63)74-68-34-18-14-30-64(68)72)44-60(53)70(58-42-50-26-10-8-24-48(50)40-56(58)46-21-5-2-6-22-46)54-38-36-51(43-59(54)69)71-61-27-11-15-31-65(61)73-66-32-16-12-28-62(66)71/h1-44H
InChIKeyVAAVEDANAIWFQE-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-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 173476848
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59221101
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219982
10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074
12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene
CID 146213059
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-[9-(9,9-dimethylfluoren-2-yl)-10-(2-naphthalen-1-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219822

Frequently Asked Questions

What is the IUPAC name of 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?
The IUPAC name of 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine (CID 59219992) is 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine is c1ccc(-c2cc3ccccc3cc2-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3cc4ccccc4cc3-c3ccccc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)cc1.
What is the InChIKey of 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?
The InChIKey is VAAVEDANAIWFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O2/c1-3-19-45(20-4-1)55-39-47-23-7-9-25-49(47)41-57(55)69-53-37-35-52(72-63-29-13-17-33-67(63)74-68-34-18-14-30-64(68)72)44-60(53)70(58-42-50-26-10-8-24-48(50)40-56(58)46-21-5-2-6-22-46)54-38-36-51(43-59(54)69)71-61-27-11-15-31-65(61)73-66-32-16-12-28-62(66)71/h1-44H.
What are the key properties of 10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-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-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine is sourced from PubChem (CID 59219992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).