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

C38H32N2 — CID 14366510

IUPAC9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)cc3)ccc21
InChIInChI=1S/C38H32N2/c1-3-39-35-11-7-5-9-31(35)33-25-29(21-23-37(33)39)19-17-27-13-15-28(16-14-27)18-20-30-22-24-38-34(26-30)32-10-6-8-12-36(32)40(38)4-2/h5-26H,3-4H2,1-2H3/b19-17+,20-18+
InChIKeyJQXNAJZMEBHUMC-XPWSMXQVSA-N
MW516.69 g/mol
LogP10.28
Rot. Bonds6

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

9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole (PubChem CID 14366510) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole
PubChem CID14366510
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)cc3)ccc21
InChIInChI=1S/C38H32N2/c1-3-39-35-11-7-5-9-31(35)33-25-29(21-23-37(33)39)19-17-27-13-15-28(16-14-27)18-20-30-22-24-38-34(26-30)32-10-6-8-12-36(32)40(38)4-2/h5-26H,3-4H2,1-2H3/b19-17+,20-18+
InChIKeyJQXNAJZMEBHUMC-XPWSMXQVSA-N
XLogP10.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.28
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-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole (CID 14366510) is 9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole is CCn1c2ccccc2c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)cc3)ccc21.
What is the InChIKey of 9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole?
The InChIKey is JQXNAJZMEBHUMC-XPWSMXQVSA-N. The full InChI is InChI=1S/C38H32N2/c1-3-39-35-11-7-5-9-31(35)33-25-29(21-23-37(33)39)19-17-27-13-15-28(16-14-27)18-20-30-22-24-38-34(26-30)32-10-6-8-12-36(32)40(38)4-2/h5-26H,3-4H2,1-2H3/b19-17+,20-18+.
What are the key properties of 9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole?
9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole has a molecular weight of 516.69 g/mol, XLogP of 10.28, 6 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-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole is sourced from PubChem (CID 14366510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).