9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole

C44H36N2 — CID 22497800

IUPAC9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21
InChIInChI=1S/C44H36N2/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2/h5-30H,3-4H2,1-2H3/b15-13+,16-14+
InChIKeyRAPHUPWIHDYTKU-WXUKJITCSA-N
MW592.79 g/mol
LogP11.95
Rot. Bonds7

About 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole

9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole (PubChem CID 22497800) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
PubChem CID22497800
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21
InChIInChI=1S/C44H36N2/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2/h5-30H,3-4H2,1-2H3/b15-13+,16-14+
InChIKeyRAPHUPWIHDYTKU-WXUKJITCSA-N
XLogP11.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole (CID 22497800) is 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole is CCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21.
What is the InChIKey of 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole?
The InChIKey is RAPHUPWIHDYTKU-WXUKJITCSA-N. The full InChI is InChI=1S/C44H36N2/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2/h5-30H,3-4H2,1-2H3/b15-13+,16-14+.
What are the key properties of 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole?
9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole has a molecular weight of 592.79 g/mol, XLogP of 11.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole is sourced from PubChem (CID 22497800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).