2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene

C46H30 — CID 76589902

IUPAC2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
SMILESC(=Cc1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc(C=Cc2ccc3cc4cc5ccccc5cc4cc3c2)cc1
InChIInChI=1S/C46H30/c1-3-7-37-25-45-29-41-21-33(17-19-39(41)27-43(45)23-35(37)5-1)15-13-31-9-11-32(12-10-31)14-16-34-18-20-40-28-44-24-36-6-2-4-8-38(36)26-46(44)30-42(40)22-34/h1-30H
InChIKeyUYJQCRYKVWETFR-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.95
Rot. Bonds4

About 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene

2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene (PubChem CID 76589902) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene.

Molecular Properties

Compound Name2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
PubChem CID76589902
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
SMILESC(=Cc1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc(C=Cc2ccc3cc4cc5ccccc5cc4cc3c2)cc1
InChIInChI=1S/C46H30/c1-3-7-37-25-45-29-41-21-33(17-19-39(41)27-43(45)23-35(37)5-1)15-13-31-9-11-32(12-10-31)14-16-34-18-20-40-28-44-24-36-6-2-4-8-38(36)26-46(44)30-42(40)22-34/h1-30H
InChIKeyUYJQCRYKVWETFR-UHFFFAOYSA-N
XLogP12.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene
CID 72543257
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
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
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
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
4-N-[4-(2-anthracen-2-ylethenyl)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142090420
2-(6-phenylhexa-1,3,5-trienyl)naphthalene
CID 2818391
N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 20801917

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene?
The IUPAC name of 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene (CID 76589902) is 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene.
What is the SMILES notation for 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene?
The canonical SMILES for 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene is C(=Cc1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc(C=Cc2ccc3cc4cc5ccccc5cc4cc3c2)cc1.
What is the InChIKey of 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene?
The InChIKey is UYJQCRYKVWETFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-7-37-25-45-29-41-21-33(17-19-39(41)27-43(45)23-35(37)5-1)15-13-31-9-11-32(12-10-31)14-16-34-18-20-40-28-44-24-36-6-2-4-8-38(36)26-46(44)30-42(40)22-34/h1-30H.
What are the key properties of 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene?
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene has a molecular weight of 582.75 g/mol, XLogP of 12.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene is sourced from PubChem (CID 76589902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).