3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran

C32H22O — CID 175628427

IUPAC3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran
SMILESC=Cc1c(C(=C)c2c3ccccc3c(-c3ccccc3)c3ccccc23)oc2ccccc12
InChIInChI=1S/C32H22O/c1-3-23-24-15-11-12-20-29(24)33-32(23)21(2)30-25-16-7-9-18-27(25)31(22-13-5-4-6-14-22)28-19-10-8-17-26(28)30/h3-20H,1-2H2
InChIKeyCLYSABDMKYHWBH-UHFFFAOYSA-N
MW422.53 g/mol
LogP9.11
Rot. Bonds4

About 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran

3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran (PubChem CID 175628427) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran.

Molecular Properties

Compound Name3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran
PubChem CID175628427
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran
SMILESC=Cc1c(C(=C)c2c3ccccc3c(-c3ccccc3)c3ccccc23)oc2ccccc12
InChIInChI=1S/C32H22O/c1-3-23-24-15-11-12-20-29(24)33-32(23)21(2)30-25-16-7-9-18-27(25)31(22-13-5-4-6-14-22)28-19-10-8-17-26(28)30/h3-20H,1-2H2
InChIKeyCLYSABDMKYHWBH-UHFFFAOYSA-N
XLogP9.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 59.11
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-4-phenylchromen-2-one
CID 24787269
3-ethenyl-2-[(Z)-pent-2-en-2-yl]-1-benzofuran
CID 143232287
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 146215674
4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran
CID 70658695
4-ethyl-3-[(3Z)-5-(10-phenylanthracen-9-yl)hexa-1,3,5-trien-2-yl]oxydibenzofuran
CID 122419026
(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial
CID 129066637
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 155312586
3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 156556318

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran?
The IUPAC name of 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran (CID 175628427) is 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran.
What is the SMILES notation for 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran?
The canonical SMILES for 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran is C=Cc1c(C(=C)c2c3ccccc3c(-c3ccccc3)c3ccccc23)oc2ccccc12.
What is the InChIKey of 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran?
The InChIKey is CLYSABDMKYHWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-3-23-24-15-11-12-20-29(24)33-32(23)21(2)30-25-16-7-9-18-27(25)31(22-13-5-4-6-14-22)28-19-10-8-17-26(28)30/h3-20H,1-2H2.
What are the key properties of 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran?
3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran has a molecular weight of 422.53 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran is sourced from PubChem (CID 175628427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).