9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide

C26H35N3O2 — CID 100974240

IUPAC9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide
SMILESCCCCC(CC)Cn1c2ccc(C(=O)N(C)C)cc2c2cc(C(=O)N(C)C)ccc21
InChIInChI=1S/C26H35N3O2/c1-7-9-10-18(8-2)17-29-23-13-11-19(25(30)27(3)4)15-21(23)22-16-20(12-14-24(22)29)26(31)28(5)6/h11-16,18H,7-10,17H2,1-6H3
InChIKeyZZVDLUWDURIQSK-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.41
Rot. Bonds8

About 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide

9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide (PubChem CID 100974240) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide.

Molecular Properties

Compound Name9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide
PubChem CID100974240
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide
SMILESCCCCC(CC)Cn1c2ccc(C(=O)N(C)C)cc2c2cc(C(=O)N(C)C)ccc21
InChIInChI=1S/C26H35N3O2/c1-7-9-10-18(8-2)17-29-23-13-11-19(25(30)27(3)4)15-21(23)22-16-20(12-14-24(22)29)26(31)28(5)6/h11-16,18H,7-10,17H2,1-6H3
InChIKeyZZVDLUWDURIQSK-UHFFFAOYSA-N
XLogP5.41
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide with MolForge

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Related Compounds

[(Z)-1-[6-[5-[6-[(Z)-N-acetyloxy-C-methylcarbonimidoyl]-9-(2-ethylhexyl)carbazole-3-carbonyl]thiophene-2-carbonyl]-9-(2-ethylhexyl)carbazol-3-yl]ethylideneamino] acetate
CID 167244680
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
2-[6-(2-aminoethyl)-9-(2-ethylhexyl)carbazol-3-yl]ethanamine
CID 170887976
[(Z)-[1-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-fluoroethylidene]amino] N,N-diethylcarbamate
CID 155359084
(2E)-1-[9-(2-ethylhexyl)-6-(4-methylbenzoyl)carbazol-3-yl]-2-methoxyiminooctan-1-one
CID 166731425
ethyl 2-chloro-2-oxoacetate;ethyl 2-[6-(2-ethoxy-2-oxoacetyl)-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate;9-(2-ethylhexyl)carbazole
CID 159593255
[2,7-dibromo-9-(2-ethylhexyl)-6-(4-octylbenzoyl)carbazol-3-yl]-(4-octylphenyl)methanone
CID 12982435
[(E)-[1-[6-[4-(diethylamino)benzoyl]-9-(2-ethylhexyl)carbazol-3-yl]-1-oxoheptan-2-ylidene]amino] acetate;formic acid
CID 156846319
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
[[[9-(2-ethylhexyl)-6-nitrocarbazol-3-yl]-(4-fluorophenyl)methylidene]amino] acetate
CID 76678151
1-[11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-3,5,5-trimethylhexan-1-one
CID 141364023

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide?
The IUPAC name of 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide (CID 100974240) is 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide.
What is the SMILES notation for 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide?
The canonical SMILES for 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide is CCCCC(CC)Cn1c2ccc(C(=O)N(C)C)cc2c2cc(C(=O)N(C)C)ccc21.
What is the InChIKey of 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide?
The InChIKey is ZZVDLUWDURIQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-7-9-10-18(8-2)17-29-23-13-11-19(25(30)27(3)4)15-21(23)22-16-20(12-14-24(22)29)26(31)28(5)6/h11-16,18H,7-10,17H2,1-6H3.
What are the key properties of 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide?
9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide has a molecular weight of 421.59 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide is sourced from PubChem (CID 100974240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).