9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole

C43H35N3 — CID 126628470

IUPAC9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cn4)cc3)ccc21
InChIInChI=1S/C43H35N3/c1-3-45-40-11-7-5-9-35(40)37-27-31(20-25-42(37)45)14-13-30-17-22-34(23-18-30)39-24-19-33(29-44-39)16-15-32-21-26-43-38(28-32)36-10-6-8-12-41(36)46(43)4-2/h5-29H,3-4H2,1-2H3/b14-13+,16-15+
InChIKeyOEJBRIDSULSLSE-ZBMVRHCNSA-N
MW593.77 g/mol
LogP11.35
Rot. Bonds7

About 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole

9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole (PubChem CID 126628470) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
PubChem CID126628470
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cn4)cc3)ccc21
InChIInChI=1S/C43H35N3/c1-3-45-40-11-7-5-9-35(40)37-27-31(20-25-42(37)45)14-13-30-17-22-34(23-18-30)39-24-19-33(29-44-39)16-15-32-21-26-43-38(28-32)36-10-6-8-12-41(36)46(43)4-2/h5-29H,3-4H2,1-2H3/b14-13+,16-15+
InChIKeyOEJBRIDSULSLSE-ZBMVRHCNSA-N
XLogP11.35
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
[6-(9-ethylcarbazol-3-yl)-3-pyridinyl]-trimethylsilane
CID 140719536
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-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
CID 139207175
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
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
CID 173162246
2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole
CID 4106372
9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-8-ol
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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole (CID 126628470) is 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole is CCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cn4)cc3)ccc21.
What is the InChIKey of 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole?
The InChIKey is OEJBRIDSULSLSE-ZBMVRHCNSA-N. The full InChI is InChI=1S/C43H35N3/c1-3-45-40-11-7-5-9-35(40)37-27-31(20-25-42(37)45)14-13-30-17-22-34(23-18-30)39-24-19-33(29-44-39)16-15-32-21-26-43-38(28-32)36-10-6-8-12-41(36)46(43)4-2/h5-29H,3-4H2,1-2H3/b14-13+,16-15+.
What are the key properties of 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole?
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole has a molecular weight of 593.77 g/mol, XLogP of 11.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole is sourced from PubChem (CID 126628470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).