ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole

C30H39NO — CID 143490694

IUPACethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole
SMILESC=CO.CC.CCn1c2ccccc2c2ccc(CCCCCc3cccc(C)c3)cc21
InChIInChI=1S/C26H29N.C2H4O.C2H6/c1-3-27-25-15-8-7-14-23(25)24-17-16-22(19-26(24)27)12-6-4-5-11-21-13-9-10-20(2)18-21;1-2-3;1-2/h7-10,13-19H,3-6,11-12H2,1-2H3;2-3H,1H2;1-2H3
InChIKeyDXIPRROSQSPWRA-UHFFFAOYSA-N
MW429.65 g/mol
LogP8.79
Rot. Bonds7

About ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole

ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole (PubChem CID 143490694) has the molecular formula C30H39NO and a molecular weight of 429.65 g/mol. Its IUPAC name is ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole.

Molecular Properties

Compound Nameethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole
PubChem CID143490694
Molecular FormulaC30H39NO
Molecular Weight429.65 g/mol
Exact Mass429.30
IUPAC Nameethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole
SMILESC=CO.CC.CCn1c2ccccc2c2ccc(CCCCCc3cccc(C)c3)cc21
InChIInChI=1S/C26H29N.C2H4O.C2H6/c1-3-27-25-15-8-7-14-23(25)24-17-16-22(19-26(24)27)12-6-4-5-11-21-13-9-10-20(2)18-21;1-2-3;1-2/h7-10,13-19H,3-6,11-12H2,1-2H3;2-3H,1H2;1-2H3
InChIKeyDXIPRROSQSPWRA-UHFFFAOYSA-N
XLogP8.79
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole?
The IUPAC name of ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole (CID 143490694) is ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole.
What is the SMILES notation for ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole?
The canonical SMILES for ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole is C=CO.CC.CCn1c2ccccc2c2ccc(CCCCCc3cccc(C)c3)cc21.
What is the InChIKey of ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole?
The InChIKey is DXIPRROSQSPWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N.C2H4O.C2H6/c1-3-27-25-15-8-7-14-23(25)24-17-16-22(19-26(24)27)12-6-4-5-11-21-13-9-10-20(2)18-21;1-2-3;1-2/h7-10,13-19H,3-6,11-12H2,1-2H3;2-3H,1H2;1-2H3.
What are the key properties of ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole?
ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole has a molecular weight of 429.65 g/mol, XLogP of 8.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenol;9-ethyl-2-[5-(3-methylphenyl)pentyl]carbazole is sourced from PubChem (CID 143490694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).