10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine

C57H40N2O2 — CID 90764809

IUPAC10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
SMILESCC1(C)c2cc(C=Cc3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)c5ccccc45)cc3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C57H40N2O2/c1-57(2)46-35-38(27-31-43(46)44-32-30-40(36-47(44)57)58-49-15-5-9-19-53(49)60-54-20-10-6-16-50(54)58)24-23-37-25-28-39(29-26-37)41-33-34-48(45-14-4-3-13-42(41)45)59-51-17-7-11-21-55(51)61-56-22-12-8-18-52(56)59/h3-36H,1-2H3
InChIKeyQVLKWYNPQOOFEX-UHFFFAOYSA-N
MW784.96 g/mol
LogP16.13
Rot. Bonds5

About 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine

10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine (PubChem CID 90764809) has the molecular formula C57H40N2O2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
PubChem CID90764809
Molecular FormulaC57H40N2O2
Molecular Weight784.96 g/mol
Exact Mass784.31
IUPAC Name10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
SMILESCC1(C)c2cc(C=Cc3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)c5ccccc45)cc3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C57H40N2O2/c1-57(2)46-35-38(27-31-43(46)44-32-30-40(36-47(44)57)58-49-15-5-9-19-53(49)60-54-20-10-6-16-50(54)58)24-23-37-25-28-39(29-26-37)41-33-34-48(45-14-4-3-13-42(41)45)59-51-17-7-11-21-55(51)61-56-22-12-8-18-52(56)59/h3-36H,1-2H3
InChIKeyQVLKWYNPQOOFEX-UHFFFAOYSA-N
XLogP16.13
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.96
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[9,9-dimethyl-7-[(E)-2-(12-phenoxazin-10-ylchrysen-6-yl)ethenyl]fluoren-2-yl]phenoxazine
CID 89071771
10-[7-[2-[4-(4-benzo[b][1]benzazepin-11-ylnaphthalen-1-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,5-dimethylphenothiazine
CID 91615182
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
CID 89070905
10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
CID 145009575
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
ethane;5-methyl-10-[7'-[(E)-2-[4-[4-(10-phenylphenazin-5-yl)naphthalen-1-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984217
11-[7-[(E)-2-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 143984325
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 89070799
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
5-[4-[4-[2-[9,9-dimethyl-7-(1-methyl-10-phenyl-1,2-dihydrophenazin-5-yl)fluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 90758390

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine (CID 90764809) is 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine is CC1(C)c2cc(C=Cc3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)c5ccccc45)cc3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine?
The InChIKey is QVLKWYNPQOOFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O2/c1-57(2)46-35-38(27-31-43(46)44-32-30-40(36-47(44)57)58-49-15-5-9-19-53(49)60-54-20-10-6-16-50(54)58)24-23-37-25-28-39(29-26-37)41-33-34-48(45-14-4-3-13-42(41)45)59-51-17-7-11-21-55(51)61-56-22-12-8-18-52(56)59/h3-36H,1-2H3.
What are the key properties of 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine?
10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine has a molecular weight of 784.96 g/mol, XLogP of 16.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 90764809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).