10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine

C59H42N2O2 — CID 89000110

IUPAC10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccc(Nc5ccccc5Oc5ccccc5)cc4c(-c4ccccc4)c4ccc(N5c6ccccc6Oc6ccccc65)cc34)cc21
InChIInChI=1S/C59H42N2O2/c1-59(2)49-22-10-9-21-43(49)44-32-29-39(35-50(44)59)58-45-33-30-40(60-51-23-11-14-26-54(51)62-42-19-7-4-8-20-42)36-47(45)57(38-17-5-3-6-18-38)46-34-31-41(37-48(46)58)61-52-24-12-15-27-55(52)63-56-28-16-13-25-53(56)61/h3-37,60H,1-2H3
InChIKeyCVAODKGFSUDFLN-UHFFFAOYSA-N
MW811.00 g/mol
LogP16.74
Rot. Bonds7

About 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine

10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine (PubChem CID 89000110) has the molecular formula C59H42N2O2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine
PubChem CID89000110
Molecular FormulaC59H42N2O2
Molecular Weight811.00 g/mol
Exact Mass810.32
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccc(Nc5ccccc5Oc5ccccc5)cc4c(-c4ccccc4)c4ccc(N5c6ccccc6Oc6ccccc65)cc34)cc21
InChIInChI=1S/C59H42N2O2/c1-59(2)49-22-10-9-21-43(49)44-32-29-39(35-50(44)59)58-45-33-30-40(60-51-23-11-14-26-54(51)62-42-19-7-4-8-20-42)36-47(45)57(38-17-5-3-6-18-38)46-34-31-41(37-48(46)58)61-52-24-12-15-27-55(52)63-56-28-16-13-25-53(56)61/h3-37,60H,1-2H3
InChIKeyCVAODKGFSUDFLN-UHFFFAOYSA-N
XLogP16.74
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 516.74
H-Bond Donors ≤ 51
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-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220091
10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074
10-[9-(9,9-dimethylfluoren-2-yl)-10-(2-naphthalen-1-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219822
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
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-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59219940
16,44-dimethyl-21,49-dioxa-28,56-diazaheptadecacyclo[31.23.2.26,9.217,20.229,32.234,37.245,48.04,58.05,31.08,16.010,15.019,28.022,27.036,44.038,43.047,56.050,55]octahexaconta-1(57),2,4(58),5(31),6,8,10,12,14,17,19,22,24,26,29,32,34,36,38,40,42,45,47,50,52,54,59,61,63,65,67-hentriacontaene
CID 89090591
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-10-methylphenoxazine
CID 59194851
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220680
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220433
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine
CID 59195509

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine (CID 89000110) is 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine is CC1(C)c2ccccc2-c2ccc(-c3c4ccc(Nc5ccccc5Oc5ccccc5)cc4c(-c4ccccc4)c4ccc(N5c6ccccc6Oc6ccccc65)cc34)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine?
The InChIKey is CVAODKGFSUDFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O2/c1-59(2)49-22-10-9-21-43(49)44-32-29-39(35-50(44)59)58-45-33-30-40(60-51-23-11-14-26-54(51)62-42-19-7-4-8-20-42)36-47(45)57(38-17-5-3-6-18-38)46-34-31-41(37-48(46)58)61-52-24-12-15-27-55(52)63-56-28-16-13-25-53(56)61/h3-37,60H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine?
10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine has a molecular weight of 811.00 g/mol, XLogP of 16.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-N-(2-phenoxyphenyl)-9-phenylanthracen-2-amine is sourced from PubChem (CID 89000110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).