3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran

C43H30O — CID 156556318

IUPAC3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC=Cc1c(/C=C\C)oc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)cc12
InChIInChI=1S/C43H30O/c1-3-14-40-30(4-2)39-27-29(23-26-41(39)44-40)31-24-25-38(33-18-9-8-17-32(31)33)43-36-21-12-10-19-34(36)42(28-15-6-5-7-16-28)35-20-11-13-22-37(35)43/h3-27H,2H2,1H3/b14-3-
InChIKeyWQTGIZXBGWURFJ-BNNQUZSASA-N
MW562.71 g/mol
LogP12.57
Rot. Bonds5

About 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran

3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran (PubChem CID 156556318) has the molecular formula C43H30O and a molecular weight of 562.71 g/mol. Its IUPAC name is 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran.

Molecular Properties

Compound Name3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran
PubChem CID156556318
Molecular FormulaC43H30O
Molecular Weight562.71 g/mol
Exact Mass562.23
IUPAC Name3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC=Cc1c(/C=C\C)oc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)cc12
InChIInChI=1S/C43H30O/c1-3-14-40-30(4-2)39-27-29(23-26-41(39)44-40)31-24-25-38(33-18-9-8-17-32(31)33)43-36-21-12-10-19-34(36)42(28-15-6-5-7-16-28)35-20-11-13-22-37(35)43/h3-27H,2H2,1H3/b14-3-
InChIKeyWQTGIZXBGWURFJ-BNNQUZSASA-N
XLogP12.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 512.57
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-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 146215674
N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
3-ethenyl-8-[10-(3-phenylphenyl)anthracen-9-yl]-2-[(Z)-prop-1-enyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 170224009
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415794
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
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
6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 130212404
2-ethenyl-8-(10-phenanthren-9-ylanthracen-9-yl)-3-[(Z)-prop-1-enyl]dibenzofuran
CID 175611467
2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran
CID 157412437
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran?
The IUPAC name of 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran (CID 156556318) is 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran.
What is the SMILES notation for 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran?
The canonical SMILES for 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran is C=Cc1c(/C=C\C)oc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)cc12.
What is the InChIKey of 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran?
The InChIKey is WQTGIZXBGWURFJ-BNNQUZSASA-N. The full InChI is InChI=1S/C43H30O/c1-3-14-40-30(4-2)39-27-29(23-26-41(39)44-40)31-24-25-38(33-18-9-8-17-32(31)33)43-36-21-12-10-19-34(36)42(28-15-6-5-7-16-28)35-20-11-13-22-37(35)43/h3-27H,2H2,1H3/b14-3-.
What are the key properties of 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran?
3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran has a molecular weight of 562.71 g/mol, XLogP of 12.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran is sourced from PubChem (CID 156556318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).