6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine

C27H23N — CID 170405383

IUPAC6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
SMILESC=Cc1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1/C=C\C
InChIInChI=1S/C27H23N/c1-3-11-26-21(4-2)16-17-22-20-25(18-19-27(22)26)28(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h3-20H,2H2,1H3/b11-3-
InChIKeyOZGLYBFGFSWBSL-JYOAFUTRSA-N
MW361.49 g/mol
LogP7.99
Rot. Bonds5

About 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine

6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine (PubChem CID 170405383) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
PubChem CID170405383
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
SMILESC=Cc1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1/C=C\C
InChIInChI=1S/C27H23N/c1-3-11-26-21(4-2)16-17-22-20-25(18-19-27(22)26)28(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h3-20H,2H2,1H3/b11-3-
InChIKeyOZGLYBFGFSWBSL-JYOAFUTRSA-N
XLogP7.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine?
The IUPAC name of 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine (CID 170405383) is 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine.
What is the SMILES notation for 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine?
The canonical SMILES for 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine is C=Cc1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1/C=C\C.
What is the InChIKey of 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine?
The InChIKey is OZGLYBFGFSWBSL-JYOAFUTRSA-N. The full InChI is InChI=1S/C27H23N/c1-3-11-26-21(4-2)16-17-22-20-25(18-19-27(22)26)28(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h3-20H,2H2,1H3/b11-3-.
What are the key properties of 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine?
6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine has a molecular weight of 361.49 g/mol, XLogP of 7.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine is sourced from PubChem (CID 170405383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).