9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole

C42H34N2 — CID 102220131

IUPAC9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C(=C(\c3ccccc3)c3ccc4c(c3)c3ccccc3n4CC)c3ccccc3)ccc21
InChIInChI=1S/C42H34N2/c1-3-43-37-21-13-11-19-33(37)35-27-31(23-25-39(35)43)41(29-15-7-5-8-16-29)42(30-17-9-6-10-18-30)32-24-26-40-36(28-32)34-20-12-14-22-38(34)44(40)4-2/h5-28H,3-4H2,1-2H3/b42-41+
InChIKeyRRMLFJHUMNAQEC-WQVHNPAPSA-N
MW566.75 g/mol
LogP10.95
Rot. Bonds6

About 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole

9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole (PubChem CID 102220131) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
PubChem CID102220131
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C(=C(\c3ccccc3)c3ccc4c(c3)c3ccccc3n4CC)c3ccccc3)ccc21
InChIInChI=1S/C42H34N2/c1-3-43-37-21-13-11-19-33(37)35-27-31(23-25-39(35)43)41(29-15-7-5-8-16-29)42(30-17-9-6-10-18-30)32-24-26-40-36(28-32)34-20-12-14-22-38(34)44(40)4-2/h5-28H,3-4H2,1-2H3/b42-41+
InChIKeyRRMLFJHUMNAQEC-WQVHNPAPSA-N
XLogP10.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethylcarbazole-3-carboxylate
CID 7148416
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
CID 155432714
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole (CID 102220131) is 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole is CCn1c2ccccc2c2cc(/C(=C(\c3ccccc3)c3ccc4c(c3)c3ccccc3n4CC)c3ccccc3)ccc21.
What is the InChIKey of 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole?
The InChIKey is RRMLFJHUMNAQEC-WQVHNPAPSA-N. The full InChI is InChI=1S/C42H34N2/c1-3-43-37-21-13-11-19-33(37)35-27-31(23-25-39(35)43)41(29-15-7-5-8-16-29)42(30-17-9-6-10-18-30)32-24-26-40-36(28-32)34-20-12-14-22-38(34)44(40)4-2/h5-28H,3-4H2,1-2H3/b42-41+.
What are the key properties of 9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole?
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole has a molecular weight of 566.75 g/mol, XLogP of 10.95, 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-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole is sourced from PubChem (CID 102220131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).