2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran

C42H28O — CID 157412437

IUPAC2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran
SMILESC=Cc1oc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2c1C=C
InChIInChI=1S/C42H28O/c1-3-31-34-25-24-30(26-40(34)43-39(31)4-2)42-37-17-9-7-15-35(37)41(36-16-8-10-18-38(36)42)29-22-20-28(21-23-29)33-19-11-13-27-12-5-6-14-32(27)33/h3-26H,1-2H2
InChIKeyBOLDWADWUBGJHL-UHFFFAOYSA-N
MW548.69 g/mol
LogP12.18
Rot. Bonds5

About 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran

2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran (PubChem CID 157412437) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran.

Molecular Properties

Compound Name2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran
PubChem CID157412437
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran
SMILESC=Cc1oc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2c1C=C
InChIInChI=1S/C42H28O/c1-3-31-34-25-24-30(26-40(34)43-39(31)4-2)42-37-17-9-7-15-35(37)41(36-16-8-10-18-38(36)42)29-22-20-28(21-23-29)33-19-11-13-27-12-5-6-14-32(27)33/h3-26H,1-2H2
InChIKeyBOLDWADWUBGJHL-UHFFFAOYSA-N
XLogP12.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 512.18
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

9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
CID 58991761
7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 163682165
1-[2-ethenyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-1-benzofuran-3-yl]-2-methyldibenzofuran
CID 167022351
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
7-(10-naphthalen-1-ylanthracen-9-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 122425860
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992
2-ethenyl-3-(2-methyldibenzothiophen-1-yl)-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-benzofuran
CID 167022287
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran?
The IUPAC name of 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran (CID 157412437) is 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran.
What is the SMILES notation for 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran?
The canonical SMILES for 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran is C=Cc1oc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran?
The InChIKey is BOLDWADWUBGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-3-31-34-25-24-30(26-40(34)43-39(31)4-2)42-37-17-9-7-15-35(37)41(36-16-8-10-18-38(36)42)29-22-20-28(21-23-29)33-19-11-13-27-12-5-6-14-32(27)33/h3-26H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran?
2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran has a molecular weight of 548.69 g/mol, XLogP of 12.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran is sourced from PubChem (CID 157412437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).