2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene

C72H48S2 — CID 143526425

IUPAC2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene
SMILESC(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(/C=C/c2ccc3cc4ccccc4cc3c2)cc1.C(=C/c1ccc2sc3ccccc3c2c1)\c1ccc(/C=C/c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C38H26.C34H22S2/c1-3-7-33-25-37-21-29(17-19-35(37)23-31(33)5-1)15-13-27-9-11-28(12-10-27)14-16-30-18-20-36-24-32-6-2-4-8-34(32)26-38(36)22-30;1-3-7-31-27(5-1)29-21-25(17-19-33(29)35-31)15-13-23-9-11-24(12-10-23)14-16-26-18-20-34-30(22-26)28-6-2-4-8-32(28)36-34/h1-26H;1-22H/b2*15-13+,16-14+
InChIKeyWXAHWELLVVHDJF-HHOUVETASA-N
MW977.31 g/mol
LogP21.40
Rot. Bonds8

About 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene

2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene (PubChem CID 143526425) has the molecular formula C72H48S2 and a molecular weight of 977.31 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene.

Molecular Properties

Compound Name2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene
PubChem CID143526425
Molecular FormulaC72H48S2
Molecular Weight977.31 g/mol
Exact Mass976.32
IUPAC Name2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene
SMILESC(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(/C=C/c2ccc3cc4ccccc4cc3c2)cc1.C(=C/c1ccc2sc3ccccc3c2c1)\c1ccc(/C=C/c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C38H26.C34H22S2/c1-3-7-33-25-37-21-29(17-19-35(37)23-31(33)5-1)15-13-27-9-11-28(12-10-27)14-16-30-18-20-36-24-32-6-2-4-8-34(32)26-38(36)22-30;1-3-7-31-27(5-1)29-21-25(17-19-33(29)35-31)15-13-23-9-11-24(12-10-23)14-16-26-18-20-34-30(22-26)28-6-2-4-8-32(28)36-34/h1-26H;1-22H/b2*15-13+,16-14+
InChIKeyWXAHWELLVVHDJF-HHOUVETASA-N
XLogP21.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.31
LogP ≤ 521.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene with MolForge

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Related Compounds

2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;1,2-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,3-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,4-bis[(E)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethenyl]benzene;1,2-bis[(E)-2-phenylethenyl]benzene;1,3-bis[(E)-2-phenylethenyl]benzene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene;2-methyl-6-[(E)-2-[4-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]phenyl]ethenyl]naphthalene;2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 157096227
2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene
CID 13164306
3-dibenzothiophen-2-ylprop-2-enal
CID 54153197
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
dibenzothiophene-2-carbaldehyde
CID 641360
2-naphthalen-2-yloxydibenzothiophene
CID 14642240
7,17-bis(2-tetracen-2-ylethenyl)-6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),16-nonaene
CID 76589926
2-[(E)-2-nitroethenyl]dibenzothiophene
CID 117059404
2-[(E)-2-naphthalen-2-ylethenyl]-[1]benzothiolo[3,2-a]quinolizin-5-ium
CID 11720739
2-[(E)-2-phenylethenyl]benzo[e][1]benzothiole
CID 13128318

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene?
The IUPAC name of 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene (CID 143526425) is 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene.
What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene?
The canonical SMILES for 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene is C(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(/C=C/c2ccc3cc4ccccc4cc3c2)cc1.C(=C/c1ccc2sc3ccccc3c2c1)\c1ccc(/C=C/c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene?
The InChIKey is WXAHWELLVVHDJF-HHOUVETASA-N. The full InChI is InChI=1S/C38H26.C34H22S2/c1-3-7-33-25-37-21-29(17-19-35(37)23-31(33)5-1)15-13-27-9-11-28(12-10-27)14-16-30-18-20-36-24-32-6-2-4-8-34(32)26-38(36)22-30;1-3-7-31-27(5-1)29-21-25(17-19-33(29)35-31)15-13-23-9-11-24(12-10-23)14-16-26-18-20-34-30(22-26)28-6-2-4-8-32(28)36-34/h1-26H;1-22H/b2*15-13+,16-14+.
What are the key properties of 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene?
2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene has a molecular weight of 977.31 g/mol, XLogP of 21.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene is sourced from PubChem (CID 143526425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).