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

C52H36F6N2O2 — CID 163866588

IUPAC10-[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
SMILESFC(F)(F)c1ccc2c(c1)C1(C3=C(c4ccc(N5C6=C(C=CCC6)Oc6ccccc65)cc41)C1CC1C(N1C4=CC=CCC4Oc4ccccc41)C3)c1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C52H36F6N2O2/c53-51(54,55)28-17-20-31-32-21-18-29(52(56,57)58)24-37(32)50(36(31)23-28)38-25-30(59-40-9-1-5-13-45(40)61-46-14-6-2-10-41(46)59)19-22-33(38)49-35-26-34(35)44(27-39(49)50)60-42-11-3-7-15-47(42)62-48-16-8-4-12-43(48)60/h1,3-9,11-15,17-25,34-35,44,48H,2,10,16,26-27H2
InChIKeyPHEBJEBUEATEBT-UHFFFAOYSA-N
MW834.86 g/mol
LogP13.42
Rot. Bonds2

About 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

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 (PubChem CID 163866588) has the molecular formula C52H36F6N2O2 and a molecular weight of 834.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID163866588
Molecular FormulaC52H36F6N2O2
Molecular Weight834.86 g/mol
Exact Mass834.27
IUPAC Name10-[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
SMILESFC(F)(F)c1ccc2c(c1)C1(C3=C(c4ccc(N5C6=C(C=CCC6)Oc6ccccc65)cc41)C1CC1C(N1C4=CC=CCC4Oc4ccccc41)C3)c1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C52H36F6N2O2/c53-51(54,55)28-17-20-31-32-21-18-29(52(56,57)58)24-37(32)50(36(31)23-28)38-25-30(59-40-9-1-5-13-45(40)61-46-14-6-2-10-41(46)59)19-22-33(38)49-35-26-34(35)44(27-39(49)50)60-42-11-3-7-15-47(42)62-48-16-8-4-12-43(48)60/h1,3-9,11-15,17-25,34-35,44,48H,2,10,16,26-27H2
InChIKeyPHEBJEBUEATEBT-UHFFFAOYSA-N
XLogP13.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.86
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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-[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
10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine
CID 89111126
2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965533
11-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-yl-10H-cyclohepta[b][1,4]benzoxazine
CID 145292093
CID 146495452
CID 146495452
10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine
CID 123828238
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
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]
CID 160692127
2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide
CID 163959695
10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenoxazine
CID 135229425

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1ccc2c(c1)C1(C3=C(c4ccc(N5C6=C(C=CCC6)Oc6ccccc65)cc41)C1CC1C(N1C4=CC=CCC4Oc4ccccc41)C3)c1cc(C(F)(F)F)ccc1-2.
What is the InChIKey of 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?
The InChIKey is PHEBJEBUEATEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36F6N2O2/c53-51(54,55)28-17-20-31-32-21-18-29(52(56,57)58)24-37(32)50(36(31)23-28)38-25-30(59-40-9-1-5-13-45(40)61-46-14-6-2-10-41(46)59)19-22-33(38)49-35-26-34(35)44(27-39(49)50)60-42-11-3-7-15-47(42)62-48-16-8-4-12-43(48)60/h1,3-9,11-15,17-25,34-35,44,48H,2,10,16,26-27H2.
What are the key properties of 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?
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 has a molecular weight of 834.86 g/mol, XLogP of 13.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163866588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).