1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene

C44H34 — CID 143856218

IUPAC1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene
SMILESC=Cc1cccc(-c2c(C=C)c(C=C)c(-c3ccc(-c4ccc5ccccc5c4)c(C=C)c3C=C)c3ccccc23)c1C=C
InChIInChI=1S/C44H34/c1-7-29-20-17-23-39(33(29)8-2)43-36(11-5)37(12-6)44(41-22-16-15-21-40(41)43)42-27-26-38(34(9-3)35(42)10-4)32-25-24-30-18-13-14-19-31(30)28-32/h7-28H,1-6H2
InChIKeyVZSDJQWSGNIVTI-UHFFFAOYSA-N
MW562.76 g/mol
LogP12.85
Rot. Bonds9

About 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene

1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene (PubChem CID 143856218) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene.

Molecular Properties

Compound Name1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene
PubChem CID143856218
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene
SMILESC=Cc1cccc(-c2c(C=C)c(C=C)c(-c3ccc(-c4ccc5ccccc5c4)c(C=C)c3C=C)c3ccccc23)c1C=C
InChIInChI=1S/C44H34/c1-7-29-20-17-23-39(33(29)8-2)43-36(11-5)37(12-6)44(41-22-16-15-21-40(41)43)42-27-26-38(34(9-3)35(42)10-4)32-25-24-30-18-13-14-19-31(30)28-32/h7-28H,1-6H2
InChIKeyVZSDJQWSGNIVTI-UHFFFAOYSA-N
XLogP12.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[2,3-bis(ethenyl)phenyl]-10-naphthalen-1-ylanthracene
CID 90899985
2-(2-ethenylphenyl)anthracene
CID 19426140
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine
CID 88589712
1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene
CID 144681108
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846
1-[2,3,5,6-tetrakis(ethenyl)phenyl]naphthalene
CID 123541767
9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene
CID 159616187
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
1-[2,3-bis(ethenyl)-4-phenylphenyl]-2,3-bis(ethenyl)-4-phenylnaphthalene;ethane
CID 145309553
9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
CID 143300939
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene?
The IUPAC name of 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene (CID 143856218) is 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene.
What is the SMILES notation for 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene?
The canonical SMILES for 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene is C=Cc1cccc(-c2c(C=C)c(C=C)c(-c3ccc(-c4ccc5ccccc5c4)c(C=C)c3C=C)c3ccccc23)c1C=C.
What is the InChIKey of 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene?
The InChIKey is VZSDJQWSGNIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-7-29-20-17-23-39(33(29)8-2)43-36(11-5)37(12-6)44(41-22-16-15-21-40(41)43)42-27-26-38(34(9-3)35(42)10-4)32-25-24-30-18-13-14-19-31(30)28-32/h7-28H,1-6H2.
What are the key properties of 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene?
1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene has a molecular weight of 562.76 g/mol, XLogP of 12.85, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene is sourced from PubChem (CID 143856218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).