[9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone

C33H28N2O — CID 143868624

IUPAC[9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone
SMILES[H]/N=C(\CCC#Cc1ccccc1)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C33H28N2O/c1-3-35-31-19-17-25(30(34)16-10-8-14-24-12-5-4-6-13-24)21-28(31)29-22-26(18-20-32(29)35)33(36)27-15-9-7-11-23(27)2/h4-7,9,11-13,15,17-22,34H,3,10,16H2,1-2H3/b34-30+
InChIKeyODNKDBXRPXXWNK-VBMGMRCRSA-N
MW468.60 g/mol
LogP7.55
Rot. Bonds6

About [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone

[9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone (PubChem CID 143868624) has the molecular formula C33H28N2O and a molecular weight of 468.60 g/mol. Its IUPAC name is [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone
PubChem CID143868624
Molecular FormulaC33H28N2O
Molecular Weight468.60 g/mol
Exact Mass468.22
IUPAC Name[9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone
SMILES[H]/N=C(\CCC#Cc1ccccc1)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C33H28N2O/c1-3-35-31-19-17-25(30(34)16-10-8-14-24-12-5-4-6-13-24)21-28(31)29-22-26(18-20-32(29)35)33(36)27-15-9-7-11-23(27)2/h4-7,9,11-13,15,17-22,34H,3,10,16H2,1-2H3/b34-30+
InChIKeyODNKDBXRPXXWNK-VBMGMRCRSA-N
XLogP7.55
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-5-phenylpent-4-ynylidene]amino] acetate
CID 58122005
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
CID 138599036
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
(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
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]hex-4-ynylideneamino] acetate
CID 58122004
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-en-1-one
CID 167229658
[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 155166254
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
[(E)-[4-cyclopropyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzoate
CID 118902031

Frequently Asked Questions

What is the IUPAC name of [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone?
The IUPAC name of [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone (CID 143868624) is [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone is [H]/N=C(\CCC#Cc1ccccc1)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.
What is the InChIKey of [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone?
The InChIKey is ODNKDBXRPXXWNK-VBMGMRCRSA-N. The full InChI is InChI=1S/C33H28N2O/c1-3-35-31-19-17-25(30(34)16-10-8-14-24-12-5-4-6-13-24)21-28(31)29-22-26(18-20-32(29)35)33(36)27-15-9-7-11-23(27)2/h4-7,9,11-13,15,17-22,34H,3,10,16H2,1-2H3/b34-30+.
What are the key properties of [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone?
[9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone has a molecular weight of 468.60 g/mol, XLogP of 7.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 143868624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).