3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole

C28H22BrN — CID 141498099

IUPAC3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole
SMILESCCn1c2ccc(Br)cc2c2cc(C(=Cc3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C28H22BrN/c1-2-30-27-15-13-22(18-25(27)26-19-23(29)14-16-28(26)30)24(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-19H,2H2,1H3
InChIKeyBYPUATDASYDXMA-UHFFFAOYSA-N
MW452.40 g/mol
LogP8.17
Rot. Bonds4

About 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole

3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole (PubChem CID 141498099) has the molecular formula C28H22BrN and a molecular weight of 452.40 g/mol. Its IUPAC name is 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole.

Molecular Properties

Compound Name3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole
PubChem CID141498099
Molecular FormulaC28H22BrN
Molecular Weight452.40 g/mol
Exact Mass451.09
IUPAC Name3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole
SMILESCCn1c2ccc(Br)cc2c2cc(C(=Cc3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C28H22BrN/c1-2-30-27-15-13-22(18-25(27)26-19-23(29)14-16-28(26)30)24(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-19H,2H2,1H3
InChIKeyBYPUATDASYDXMA-UHFFFAOYSA-N
XLogP8.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.40
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
CID 18931899
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-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
9-ethylcarbazole-3-carboxylic acid
CID 4912869
CID 173126547
CID 173126547
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene
CID 66868039
6-bromo-9-ethyl-1-phenylcarbazole
CID 174702524
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
CID 172843956
CID 172843956
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole?
The IUPAC name of 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole (CID 141498099) is 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole.
What is the SMILES notation for 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole?
The canonical SMILES for 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole is CCn1c2ccc(Br)cc2c2cc(C(=Cc3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole?
The InChIKey is BYPUATDASYDXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22BrN/c1-2-30-27-15-13-22(18-25(27)26-19-23(29)14-16-28(26)30)24(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-19H,2H2,1H3.
What are the key properties of 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole?
3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole has a molecular weight of 452.40 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole is sourced from PubChem (CID 141498099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).