(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine

C25H26N2 — CID 142324458

IUPAC(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
SMILESCCN.N/C(=C1/C=CC=CC1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C23H19N.C2H7N/c24-23(19-8-2-1-3-9-19)20-15-13-18(14-16-20)22-12-6-10-17-7-4-5-11-21(17)22;1-2-3/h1-8,10-16H,9,24H2;2-3H2,1H3/b23-19-;
InChIKeyKVWZSBOQAADYPC-PDEWKSAASA-N
MW354.50 g/mol
LogP5.66
Rot. Bonds2

About (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine

(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine (PubChem CID 142324458) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine.

Molecular Properties

Compound Name(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
PubChem CID142324458
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
SMILESCCN.N/C(=C1/C=CC=CC1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C23H19N.C2H7N/c24-23(19-8-2-1-3-9-19)20-15-13-18(14-16-20)22-12-6-10-17-7-4-5-11-21(17)22;1-2-3/h1-8,10-16H,9,24H2;2-3H2,1H3/b23-19-;
InChIKeyKVWZSBOQAADYPC-PDEWKSAASA-N
XLogP5.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
CID 144856655
(6Z)-6-[amino-[6-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-yl]methylidene]-N-methyl-N-[(4-phenanthren-9-ylphenyl)methyl]cyclohexa-2,4-dien-1-amine;9-(4-methylphenyl)phenanthrene
CID 144856421
4-naphthalen-1-ylbenzoic acid
CID 2760151
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
CID 102364058
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
(4aE,7Z,9Z,12E)-6-methyl-5,12-bis(4-naphthalen-1-ylphenyl)-6,11-dihydrobenzo[10]annulene
CID 140818670
4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine
CID 144816380
ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
CID 145073064

Frequently Asked Questions

What is the IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine?
The IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine (CID 142324458) is (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine.
What is the SMILES notation for (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine?
The canonical SMILES for (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine is CCN.N/C(=C1/C=CC=CC1)c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine?
The InChIKey is KVWZSBOQAADYPC-PDEWKSAASA-N. The full InChI is InChI=1S/C23H19N.C2H7N/c24-23(19-8-2-1-3-9-19)20-15-13-18(14-16-20)22-12-6-10-17-7-4-5-11-21(17)22;1-2-3/h1-8,10-16H,9,24H2;2-3H2,1H3/b23-19-;.
What are the key properties of (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine?
(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine has a molecular weight of 354.50 g/mol, XLogP of 5.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine is sourced from PubChem (CID 142324458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).