9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole

C25H25N — CID 146179732

IUPAC9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole
SMILESC/C=C\C(C)(c1ccccc1)C(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C25H25N/c1-4-18-25(3,20-12-6-5-7-13-20)19(2)26-23-16-10-8-14-21(23)22-15-9-11-17-24(22)26/h4-19H,1-3H3/b18-4-
InChIKeyVZCXPRRCUCBQOT-LMXLVEHLSA-N
MW339.48 g/mol
LogP6.89
Rot. Bonds4

About 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole

9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole (PubChem CID 146179732) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole.

Molecular Properties

Compound Name9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole
PubChem CID146179732
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole
SMILESC/C=C\C(C)(c1ccccc1)C(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C25H25N/c1-4-18-25(3,20-12-6-5-7-13-20)19(2)26-23-16-10-8-14-21(23)22-15-9-11-17-24(22)26/h4-19H,1-3H3/b18-4-
InChIKeyVZCXPRRCUCBQOT-LMXLVEHLSA-N
XLogP6.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole?
The IUPAC name of 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole (CID 146179732) is 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole.
What is the SMILES notation for 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole?
The canonical SMILES for 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole is C/C=C\C(C)(c1ccccc1)C(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole?
The InChIKey is VZCXPRRCUCBQOT-LMXLVEHLSA-N. The full InChI is InChI=1S/C25H25N/c1-4-18-25(3,20-12-6-5-7-13-20)19(2)26-23-16-10-8-14-21(23)22-15-9-11-17-24(22)26/h4-19H,1-3H3/b18-4-.
What are the key properties of 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole?
9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole has a molecular weight of 339.48 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole is sourced from PubChem (CID 146179732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).