2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole

C68H49N3 — CID 118404920

IUPAC2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2ccc(/C=C/c3ccc(-c4cc(-c5ccc(C=Cn6c7ccccc7c7ccccc76)cc5)cc(-c5ccc(/C=C/n6c7ccccc7c7ccccc76)cc5)c4)cc3)cc21
InChIInChI=1S/C68H49N3/c1-2-69-63-18-8-3-17-61(63)62-38-31-50(43-68(62)69)24-23-47-25-32-51(33-26-47)54-44-55(52-34-27-48(28-35-52)39-41-70-64-19-9-4-13-57(64)58-14-5-10-20-65(58)70)46-56(45-54)53-36-29-49(30-37-53)40-42-71-66-21-11-6-15-59(66)60-16-7-12-22-67(60)71/h3-46H,2H2,1H3/b24-23+,41-39+,42-40?
InChIKeyPUQBZOODOKQKOH-ODGRLWIGSA-N
MW908.16 g/mol
LogP18.46
Rot. Bonds10

About 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole

2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole (PubChem CID 118404920) has the molecular formula C68H49N3 and a molecular weight of 908.16 g/mol. Its IUPAC name is 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole.

Molecular Properties

Compound Name2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole
PubChem CID118404920
Molecular FormulaC68H49N3
Molecular Weight908.16 g/mol
Exact Mass907.39
IUPAC Name2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2ccc(/C=C/c3ccc(-c4cc(-c5ccc(C=Cn6c7ccccc7c7ccccc76)cc5)cc(-c5ccc(/C=C/n6c7ccccc7c7ccccc76)cc5)c4)cc3)cc21
InChIInChI=1S/C68H49N3/c1-2-69-63-18-8-3-17-61(63)62-38-31-50(43-68(62)69)24-23-47-25-32-51(33-26-47)54-44-55(52-34-27-48(28-35-52)39-41-70-64-19-9-4-13-57(64)58-14-5-10-20-65(58)70)46-56(45-54)53-36-29-49(30-37-53)40-42-71-66-21-11-6-15-59(66)60-16-7-12-22-67(60)71/h3-46H,2H2,1H3/b24-23+,41-39+,42-40?
InChIKeyPUQBZOODOKQKOH-ODGRLWIGSA-N
XLogP18.46
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.16
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole
CID 138491975
3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
CID 173162246
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
CID 126628470
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
9-hexyl-2,7-bis[(E)-2-(4-phenylphenyl)ethenyl]carbazole
CID 58937437
9-(2-phenylethenyl)carbazole
CID 3728958
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
CID 88823200

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole?
The IUPAC name of 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole (CID 118404920) is 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole.
What is the SMILES notation for 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole?
The canonical SMILES for 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole is CCn1c2ccccc2c2ccc(/C=C/c3ccc(-c4cc(-c5ccc(C=Cn6c7ccccc7c7ccccc76)cc5)cc(-c5ccc(/C=C/n6c7ccccc7c7ccccc76)cc5)c4)cc3)cc21.
What is the InChIKey of 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole?
The InChIKey is PUQBZOODOKQKOH-ODGRLWIGSA-N. The full InChI is InChI=1S/C68H49N3/c1-2-69-63-18-8-3-17-61(63)62-38-31-50(43-68(62)69)24-23-47-25-32-51(33-26-47)54-44-55(52-34-27-48(28-35-52)39-41-70-64-19-9-4-13-57(64)58-14-5-10-20-65(58)70)46-56(45-54)53-36-29-49(30-37-53)40-42-71-66-21-11-6-15-59(66)60-16-7-12-22-67(60)71/h3-46H,2H2,1H3/b24-23+,41-39+,42-40?.
What are the key properties of 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole?
2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole has a molecular weight of 908.16 g/mol, XLogP of 18.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole is sourced from PubChem (CID 118404920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).