10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine

C78H60N2O2 — CID 89071935

IUPAC10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine
SMILESCC1C(N2C3=C(C=CCC3)Oc3ccccc32)=CC2=C(c3ccc(/C=C/c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(N6C7=C(CCC=C7)Oc7ccccc76)ccc4-5)cc3C2(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C78H60N2O2/c1-51-52(2)76-62-45-42-54(48-64(62)78(57-27-11-5-12-28-57,58-29-13-6-14-30-58)66(76)50-71(51)80-69-33-17-21-37-74(69)82-75-38-22-18-34-70(75)80)40-39-53-41-44-60-61-46-43-59(79-67-31-15-19-35-72(67)81-73-36-20-16-32-68(73)79)49-65(61)77(63(60)47-53,55-23-7-3-8-24-55)56-25-9-4-10-26-56/h3-17,19,21-33,35,37-52H,18,20,34,36H2,1-2H3/b40-39+
InChIKeyYPWKWEMFDRRHHT-XQQUEIPISA-N
MW1057.35 g/mol
LogP19.04
Rot. Bonds8

About 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine

10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine (PubChem CID 89071935) has the molecular formula C78H60N2O2 and a molecular weight of 1057.35 g/mol. Its IUPAC name is 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine.

Molecular Properties

Compound Name10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine
PubChem CID89071935
Molecular FormulaC78H60N2O2
Molecular Weight1057.35 g/mol
Exact Mass1056.47
IUPAC Name10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine
SMILESCC1C(N2C3=C(C=CCC3)Oc3ccccc32)=CC2=C(c3ccc(/C=C/c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(N6C7=C(CCC=C7)Oc7ccccc76)ccc4-5)cc3C2(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C78H60N2O2/c1-51-52(2)76-62-45-42-54(48-64(62)78(57-27-11-5-12-28-57,58-29-13-6-14-30-58)66(76)50-71(51)80-69-33-17-21-37-74(69)82-75-38-22-18-34-70(75)80)40-39-53-41-44-60-61-46-43-59(79-67-31-15-19-35-72(67)81-73-36-20-16-32-68(73)79)49-65(61)77(63(60)47-53,55-23-7-3-8-24-55)56-25-9-4-10-26-56/h3-17,19,21-33,35,37-52H,18,20,34,36H2,1-2H3/b40-39+
InChIKeyYPWKWEMFDRRHHT-XQQUEIPISA-N
XLogP19.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.35
LogP ≤ 519.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine with MolForge

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Related Compounds

10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 89070799
10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine
CID 89070802
10-(3-methylphenyl)-3,4-dihydrophenoxazine
CID 145413862
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
10-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydrophenoxazine
CID 170424854
11-[6-[(E)-2-[7'-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89070967
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine
CID 89071765
11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 143984146
10-[11'-(4,4a-dihydrophenoxazin-10-yl)-2,7-bis(trifluoromethyl)spiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5-tetraene]-5'-yl]-1,2-dihydrophenoxazine
CID 163866588
11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070738
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

Frequently Asked Questions

What is the IUPAC name of 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine?
The IUPAC name of 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine (CID 89071935) is 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine.
What is the SMILES notation for 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine?
The canonical SMILES for 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine is CC1C(N2C3=C(C=CCC3)Oc3ccccc32)=CC2=C(c3ccc(/C=C/c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(N6C7=C(CCC=C7)Oc7ccccc76)ccc4-5)cc3C2(c2ccccc2)c2ccccc2)C1C.
What is the InChIKey of 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine?
The InChIKey is YPWKWEMFDRRHHT-XQQUEIPISA-N. The full InChI is InChI=1S/C78H60N2O2/c1-51-52(2)76-62-45-42-54(48-64(62)78(57-27-11-5-12-28-57,58-29-13-6-14-30-58)66(76)50-71(51)80-69-33-17-21-37-74(69)82-75-38-22-18-34-70(75)80)40-39-53-41-44-60-61-46-43-59(79-67-31-15-19-35-72(67)81-73-36-20-16-32-68(73)79)49-65(61)77(63(60)47-53,55-23-7-3-8-24-55)56-25-9-4-10-26-56/h3-17,19,21-33,35,37-52H,18,20,34,36H2,1-2H3/b40-39+.
What are the key properties of 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine?
10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine has a molecular weight of 1057.35 g/mol, XLogP of 19.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine is sourced from PubChem (CID 89071935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).