3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran

C33H24O — CID 146215674

IUPAC3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC=Cc1c(/C=C\C)oc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc12
InChIInChI=1S/C33H24O/c1-3-12-30-24(4-2)29-21-23(19-20-31(29)34-30)33-27-17-10-8-15-25(27)32(22-13-6-5-7-14-22)26-16-9-11-18-28(26)33/h3-21H,2H2,1H3/b12-3-
InChIKeyYYYYFAJZTRBBAW-BASWHVEKSA-N
MW436.55 g/mol
LogP9.75
Rot. Bonds4

About 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran

3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran (PubChem CID 146215674) has the molecular formula C33H24O and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran.

Molecular Properties

Compound Name3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
PubChem CID146215674
Molecular FormulaC33H24O
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC=Cc1c(/C=C\C)oc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc12
InChIInChI=1S/C33H24O/c1-3-12-30-24(4-2)29-21-23(19-20-31(29)34-30)33-27-17-10-8-15-25(27)32(22-13-6-5-7-14-22)26-16-9-11-18-28(26)33/h3-21H,2H2,1H3/b12-3-
InChIKeyYYYYFAJZTRBBAW-BASWHVEKSA-N
XLogP9.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 156556318
3-ethenyl-8-[10-(3-phenylphenyl)anthracen-9-yl]-2-[(Z)-prop-1-enyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 170224009
N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
CID 134365271
5-[2-ethenyl-1-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-e][1]benzofuran-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167256599
2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine
CID 142384780
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-ethenyl-8-(10-phenanthren-9-ylanthracen-9-yl)-3-[(Z)-prop-1-enyl]dibenzofuran
CID 175611467
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
2-N-dibenzofuran-1-yl-7-N-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-3,6-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine
CID 166726958
19-(10-phenylanthracen-9-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146460952
2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran
CID 157412437

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran?
The IUPAC name of 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran (CID 146215674) is 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran.
What is the SMILES notation for 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran?
The canonical SMILES for 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran is C=Cc1c(/C=C\C)oc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc12.
What is the InChIKey of 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran?
The InChIKey is YYYYFAJZTRBBAW-BASWHVEKSA-N. The full InChI is InChI=1S/C33H24O/c1-3-12-30-24(4-2)29-21-23(19-20-31(29)34-30)33-27-17-10-8-15-25(27)32(22-13-6-5-7-14-22)26-16-9-11-18-28(26)33/h3-21H,2H2,1H3/b12-3-.
What are the key properties of 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran?
3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran has a molecular weight of 436.55 g/mol, XLogP of 9.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran is sourced from PubChem (CID 146215674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).