1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane

C30H26O — CID 174986873

IUPAC1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane
SMILESC1CC2OC2C1.c1ccc(-c2ccc3c(c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H18.C5H8O/c1-3-9-18(10-4-1)22-15-16-23-21-14-8-7-13-20(21)17-24(23)25(22)19-11-5-2-6-12-19;1-2-4-5(3-1)6-4/h1-16H,17H2;4-5H,1-3H2
InChIKeyPDLUZDJVBSGLOV-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.53
Rot. Bonds2

About 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane

1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane (PubChem CID 174986873) has the molecular formula C30H26O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane
PubChem CID174986873
Molecular FormulaC30H26O
Molecular Weight402.54 g/mol
Exact Mass402.20
IUPAC Name1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane
SMILESC1CC2OC2C1.c1ccc(-c2ccc3c(c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H18.C5H8O/c1-3-9-18(10-4-1)22-15-16-23-21-14-8-7-13-20(21)17-24(23)25(22)19-11-5-2-6-12-19;1-2-4-5(3-1)6-4/h1-16H,17H2;4-5H,1-3H2
InChIKeyPDLUZDJVBSGLOV-UHFFFAOYSA-N
XLogP7.53
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 161432491
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
CID 150438083
2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane
CID 158524809
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane (CID 174986873) is 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane is C1CC2OC2C1.c1ccc(-c2ccc3c(c2-c2ccccc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane?
The InChIKey is PDLUZDJVBSGLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C5H8O/c1-3-9-18(10-4-1)22-15-16-23-21-14-8-7-13-20(21)17-24(23)25(22)19-11-5-2-6-12-19;1-2-4-5(3-1)6-4/h1-16H,17H2;4-5H,1-3H2.
What are the key properties of 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane?
1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane has a molecular weight of 402.54 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 174986873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).