ethane;9-ethylcarbazole;9-methylcarbazole;propane

C44H72N2 — CID 158486364

IUPACethane;9-ethylcarbazole;9-methylcarbazole;propane
SMILESCC.CC.CC.CC.CCC.CCC.CCC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C14H13N.C13H11N.3C3H8.4C2H6/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-3-2;4*1-2/h3-10H,2H2,1H3;2-9H,1H3;3*3H2,1-2H3;4*1-2H3
InChIKeyHIDLBDXKULUCSU-UHFFFAOYSA-N
MW629.07 g/mol
LogP15.50
Rot. Bonds1

About ethane;9-ethylcarbazole;9-methylcarbazole;propane

ethane;9-ethylcarbazole;9-methylcarbazole;propane (PubChem CID 158486364) has the molecular formula C44H72N2 and a molecular weight of 629.07 g/mol. Its IUPAC name is ethane;9-ethylcarbazole;9-methylcarbazole;propane.

Molecular Properties

Compound Nameethane;9-ethylcarbazole;9-methylcarbazole;propane
PubChem CID158486364
Molecular FormulaC44H72N2
Molecular Weight629.07 g/mol
Exact Mass628.57
IUPAC Nameethane;9-ethylcarbazole;9-methylcarbazole;propane
SMILESCC.CC.CC.CC.CCC.CCC.CCC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C14H13N.C13H11N.3C3H8.4C2H6/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-3-2;4*1-2/h3-10H,2H2,1H3;2-9H,1H3;3*3H2,1-2H3;4*1-2H3
InChIKeyHIDLBDXKULUCSU-UHFFFAOYSA-N
XLogP15.50
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.07
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Iprindole
CID 21722
3-Amino-9-ethylcarbazole
CID 8588
Rimcazole
CID 53389
Mebhydrolin
CID 22530
Avn-101
CID 42631003
N-Vinylcarbazole
CID 15143
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
1-Methyl-2-phenylindole
CID 77095
Rimcazole dihydrochloride
CID 53388
9H-Carbazole-9-methanol
CID 75480
N-ethyl carbazole
CID 6836
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130

Frequently Asked Questions

What is the IUPAC name of ethane;9-ethylcarbazole;9-methylcarbazole;propane?
The IUPAC name of ethane;9-ethylcarbazole;9-methylcarbazole;propane (CID 158486364) is ethane;9-ethylcarbazole;9-methylcarbazole;propane.
What is the SMILES notation for ethane;9-ethylcarbazole;9-methylcarbazole;propane?
The canonical SMILES for ethane;9-ethylcarbazole;9-methylcarbazole;propane is CC.CC.CC.CC.CCC.CCC.CCC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of ethane;9-ethylcarbazole;9-methylcarbazole;propane?
The InChIKey is HIDLBDXKULUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C13H11N.3C3H8.4C2H6/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-3-2;4*1-2/h3-10H,2H2,1H3;2-9H,1H3;3*3H2,1-2H3;4*1-2H3.
What are the key properties of ethane;9-ethylcarbazole;9-methylcarbazole;propane?
ethane;9-ethylcarbazole;9-methylcarbazole;propane has a molecular weight of 629.07 g/mol, XLogP of 15.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethylcarbazole;9-methylcarbazole;propane is sourced from PubChem (CID 158486364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).