9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole

C28H23N3O2 — CID 139069281

IUPAC9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4c(c3[N+](=O)[O-])c3ccccc3n4CC)ccc21
InChIInChI=1S/C28H23N3O2/c1-3-29-23-11-7-5-9-20(23)22-17-18(13-15-25(22)29)19-14-16-26-27(28(19)31(32)33)21-10-6-8-12-24(21)30(26)4-2/h5-17H,3-4H2,1-2H3
InChIKeyJFBJZUNGJGDRIY-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.52
Rot. Bonds4

About 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole

9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole (PubChem CID 139069281) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole.

Molecular Properties

Compound Name9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole
PubChem CID139069281
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4c(c3[N+](=O)[O-])c3ccccc3n4CC)ccc21
InChIInChI=1S/C28H23N3O2/c1-3-29-23-11-7-5-9-20(23)22-17-18(13-15-25(22)29)19-14-16-26-27(28(19)31(32)33)21-10-6-8-12-24(21)30(26)4-2/h5-17H,3-4H2,1-2H3
InChIKeyJFBJZUNGJGDRIY-UHFFFAOYSA-N
XLogP7.52
TPSA53.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
4-(9-ethylcarbazol-3-yl)-1-methylpyrazol-5-amine
CID 117469258
9-ethyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 88924321
9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
CID 134312293
9-ethyl-3-(2-nitroethenyl)carbazole
CID 134120826
3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 163418065
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole
CID 163643695
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
CID 138622571

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole?
The IUPAC name of 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole (CID 139069281) is 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole.
What is the SMILES notation for 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole?
The canonical SMILES for 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole is CCn1c2ccccc2c2cc(-c3ccc4c(c3[N+](=O)[O-])c3ccccc3n4CC)ccc21.
What is the InChIKey of 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole?
The InChIKey is JFBJZUNGJGDRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-3-29-23-11-7-5-9-20(23)22-17-18(13-15-25(22)29)19-14-16-26-27(28(19)31(32)33)21-10-6-8-12-24(21)30(26)4-2/h5-17H,3-4H2,1-2H3.
What are the key properties of 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole?
9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole has a molecular weight of 433.51 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole is sourced from PubChem (CID 139069281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).