4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran

C57H34O — CID 87688527

IUPAC4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5c4c3)cc21
InChIInChI=1S/C57H34O/c1-2-13-42-41(12-1)49(36-26-24-35(25-27-36)40-18-11-19-48-47-17-6-10-23-55(47)58-56(40)48)33-39-29-28-37(32-50(39)42)38-30-31-46-45-16-5-9-22-53(45)57(54(46)34-38)51-20-7-3-14-43(51)44-15-4-8-21-52(44)57/h1-34H
InChIKeyFIYSRZIULDSWOW-UHFFFAOYSA-N
MW734.90 g/mol
LogP15.24
Rot. Bonds3

About 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran

4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran (PubChem CID 87688527) has the molecular formula C57H34O and a molecular weight of 734.90 g/mol. Its IUPAC name is 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
PubChem CID87688527
Molecular FormulaC57H34O
Molecular Weight734.90 g/mol
Exact Mass734.26
IUPAC Name4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5c4c3)cc21
InChIInChI=1S/C57H34O/c1-2-13-42-41(12-1)49(36-26-24-35(25-27-36)40-18-11-19-48-47-17-6-10-23-55(47)58-56(40)48)33-39-29-28-37(32-50(39)42)38-30-31-46-45-16-5-9-22-53(45)57(54(46)34-38)51-20-7-3-14-43(51)44-15-4-8-21-52(44)57/h1-34H
InChIKeyFIYSRZIULDSWOW-UHFFFAOYSA-N
XLogP15.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 67888522
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368787
4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
CID 87688488
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine
CID 155278995
2'-[8-(4-phenylphenyl)-17-tricyclo[8.8.0.02,7]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485110
(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 59133482
N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168805359
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran (CID 87688527) is 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5c4c3)cc21.
What is the InChIKey of 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran?
The InChIKey is FIYSRZIULDSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34O/c1-2-13-42-41(12-1)49(36-26-24-35(25-27-36)40-18-11-19-48-47-17-6-10-23-55(47)58-56(40)48)33-39-29-28-37(32-50(39)42)38-30-31-46-45-16-5-9-22-53(45)57(54(46)34-38)51-20-7-3-14-43(51)44-15-4-8-21-52(44)57/h1-34H.
What are the key properties of 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran?
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran has a molecular weight of 734.90 g/mol, XLogP of 15.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 87688527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).