1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone

C26H23NO — CID 139249120

IUPAC1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
SMILESO=C(CC1CCCc2c1c1ccccc1n2-c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23NO/c28-25(19-10-3-1-4-11-19)18-20-12-9-17-24-26(20)22-15-7-8-16-23(22)27(24)21-13-5-2-6-14-21/h1-8,10-11,13-16,20H,9,12,17-18H2
InChIKeyCCADYIUWVITYLW-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.32
Rot. Bonds4

About 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone

1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone (PubChem CID 139249120) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
PubChem CID139249120
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
SMILESO=C(CC1CCCc2c1c1ccccc1n2-c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23NO/c28-25(19-10-3-1-4-11-19)18-20-12-9-17-24-26(20)22-15-7-8-16-23(22)27(24)21-13-5-2-6-14-21/h1-8,10-11,13-16,20H,9,12,17-18H2
InChIKeyCCADYIUWVITYLW-UHFFFAOYSA-N
XLogP6.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone?
The IUPAC name of 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone (CID 139249120) is 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone is O=C(CC1CCCc2c1c1ccccc1n2-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone?
The InChIKey is CCADYIUWVITYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c28-25(19-10-3-1-4-11-19)18-20-12-9-17-24-26(20)22-15-7-8-16-23(22)27(24)21-13-5-2-6-14-21/h1-8,10-11,13-16,20H,9,12,17-18H2.
What are the key properties of 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone?
1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone has a molecular weight of 365.48 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone is sourced from PubChem (CID 139249120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).