ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole

C30H34N2 — CID 144821210

IUPACethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole
SMILESC=Cc1c(/C=C\C)[nH]c2ccccc12.CC.CCCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C15H15N.C13H13N.C2H6/c1-2-5-11-8-9-15-13(10-11)12-6-3-4-7-14(12)16-15;1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12;1-2/h3-4,6-10,16H,2,5H2,1H3;3-9,14H,2H2,1H3;1-2H3/b;7-3-;
InChIKeyBYTSALGMZFWHCJ-XSXGVBCLSA-N
MW422.62 g/mol
LogP9.14
Rot. Bonds4

About ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole

ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole (PubChem CID 144821210) has the molecular formula C30H34N2 and a molecular weight of 422.62 g/mol. Its IUPAC name is ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole.

Molecular Properties

Compound Nameethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole
PubChem CID144821210
Molecular FormulaC30H34N2
Molecular Weight422.62 g/mol
Exact Mass422.27
IUPAC Nameethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole
SMILESC=Cc1c(/C=C\C)[nH]c2ccccc12.CC.CCCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C15H15N.C13H13N.C2H6/c1-2-5-11-8-9-15-13(10-11)12-6-3-4-7-14(12)16-15;1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12;1-2/h3-4,6-10,16H,2,5H2,1H3;3-9,14H,2H2,1H3;1-2H3/b;7-3-;
InChIKeyBYTSALGMZFWHCJ-XSXGVBCLSA-N
XLogP9.14
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 59.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole?
The IUPAC name of ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole (CID 144821210) is ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole.
What is the SMILES notation for ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole?
The canonical SMILES for ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole is C=Cc1c(/C=C\C)[nH]c2ccccc12.CC.CCCc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole?
The InChIKey is BYTSALGMZFWHCJ-XSXGVBCLSA-N. The full InChI is InChI=1S/C15H15N.C13H13N.C2H6/c1-2-5-11-8-9-15-13(10-11)12-6-3-4-7-14(12)16-15;1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12;1-2/h3-4,6-10,16H,2,5H2,1H3;3-9,14H,2H2,1H3;1-2H3/b;7-3-;.
What are the key properties of ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole?
ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole has a molecular weight of 422.62 g/mol, XLogP of 9.14, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole is sourced from PubChem (CID 144821210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).