phenanthro[1,2-f][2]benzofuran

C20H12O — CID 86021739

IUPACphenanthro[1,2-f][2]benzofuran
SMILESc1ccc2c(c1)ccc1c3cc4cocc4cc3ccc21
InChIInChI=1S/C20H12O/c1-2-4-17-13(3-1)5-7-19-18(17)8-6-14-9-15-11-21-12-16(15)10-20(14)19/h1-12H
InChIKeyYBSORFSTMJLKGJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP5.89
Rot. Bonds

About phenanthro[1,2-f][2]benzofuran

phenanthro[1,2-f][2]benzofuran (PubChem CID 86021739) has the molecular formula C20H12O and a molecular weight of 268.31 g/mol. Its IUPAC name is phenanthro[1,2-f][2]benzofuran.

Molecular Properties

Compound Namephenanthro[1,2-f][2]benzofuran
PubChem CID86021739
Molecular FormulaC20H12O
Molecular Weight268.31 g/mol
Exact Mass268.09
IUPAC Namephenanthro[1,2-f][2]benzofuran
SMILESc1ccc2c(c1)ccc1c3cc4cocc4cc3ccc21
InChIInChI=1S/C20H12O/c1-2-4-17-13(3-1)5-7-19-18(17)8-6-14-9-15-11-21-12-16(15)10-20(14)19/h1-12H
InChIKeyYBSORFSTMJLKGJ-UHFFFAOYSA-N
XLogP5.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.31
LogP ≤ 55.89
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

heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
naphtho[1,2-b]phenanthrene
CID 5889
benzo[a]anthracene;hydrobromide
CID 159787028
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
benzo[a]anthracene;formonitrile
CID 155409375
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443

Frequently Asked Questions

What is the IUPAC name of phenanthro[1,2-f][2]benzofuran?
The IUPAC name of phenanthro[1,2-f][2]benzofuran (CID 86021739) is phenanthro[1,2-f][2]benzofuran.
What is the SMILES notation for phenanthro[1,2-f][2]benzofuran?
The canonical SMILES for phenanthro[1,2-f][2]benzofuran is c1ccc2c(c1)ccc1c3cc4cocc4cc3ccc21.
What is the InChIKey of phenanthro[1,2-f][2]benzofuran?
The InChIKey is YBSORFSTMJLKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O/c1-2-4-17-13(3-1)5-7-19-18(17)8-6-14-9-15-11-21-12-16(15)10-20(14)19/h1-12H.
What are the key properties of phenanthro[1,2-f][2]benzofuran?
phenanthro[1,2-f][2]benzofuran has a molecular weight of 268.31 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthro[1,2-f][2]benzofuran is sourced from PubChem (CID 86021739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).