(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone

C26H27NO — CID 141217378

IUPAC(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
SMILESCCCCc1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C26H27NO/c1-4-6-10-19-12-14-24-22(16-19)23-17-20(13-15-25(23)27(24)5-2)26(28)21-11-8-7-9-18(21)3/h7-9,11-17H,4-6,10H2,1-3H3
InChIKeyQZEFDZSUEGPNSN-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.70
Rot. Bonds6

About (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone

(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone (PubChem CID 141217378) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
PubChem CID141217378
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
SMILESCCCCc1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C26H27NO/c1-4-6-10-19-12-14-24-22(16-19)23-17-20(13-15-25(23)27(24)5-2)26(28)21-11-8-7-9-18(21)3/h7-9,11-17H,4-6,10H2,1-3H3
InChIKeyQZEFDZSUEGPNSN-UHFFFAOYSA-N
XLogP6.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
CID 154285254
[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 87223594
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
CID 138599036
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-en-1-one
CID 167229658
[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate
CID 76569446
(6-ethyl-3-hydroxyfuro[3,2-c]carbazol-9-yl)-(2-methylphenyl)methanone
CID 123567975

Frequently Asked Questions

What is the IUPAC name of (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone?
The IUPAC name of (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone (CID 141217378) is (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone is CCCCc1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.
What is the InChIKey of (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone?
The InChIKey is QZEFDZSUEGPNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c1-4-6-10-19-12-14-24-22(16-19)23-17-20(13-15-25(23)27(24)5-2)26(28)21-11-8-7-9-18(21)3/h7-9,11-17H,4-6,10H2,1-3H3.
What are the key properties of (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone?
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone has a molecular weight of 369.51 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 141217378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).