5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine

C26H23N — CID 145327932

IUPAC5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine
SMILESC1=CCC=C(C2=CCC=C(Nc3ccc(-c4ccccc4)cc3)C=C2)C=C1
InChIInChI=1S/C26H23N/c1-2-5-10-21(9-4-1)23-13-8-14-25(18-15-23)27-26-19-16-24(17-20-26)22-11-6-3-7-12-22/h1-4,6-7,9-20,27H,5,8H2
InChIKeyOXIUXNYDCAGECQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.98
Rot. Bonds4

About 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine

5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine (PubChem CID 145327932) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine
PubChem CID145327932
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine
SMILESC1=CCC=C(C2=CCC=C(Nc3ccc(-c4ccccc4)cc3)C=C2)C=C1
InChIInChI=1S/C26H23N/c1-2-5-10-21(9-4-1)23-13-8-14-25(18-15-23)27-26-19-16-24(17-20-26)22-11-6-3-7-12-22/h1-4,6-7,9-20,27H,5,8H2
InChIKeyOXIUXNYDCAGECQ-UHFFFAOYSA-N
XLogP6.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenylcyclohepta-1,4,6-trien-1-amine
CID 142428627
ethane;methane;2-phenylcyclohepta-1,3,5-triene
CID 154646973
2-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144705647
1-N-cyclohepta-1,4,6-trien-1-yl-4-N-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-1-N-phenylcyclohepta-1,3-diene-1,4-diamine
CID 134447783
2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 91515561
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 154955110
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
2-phenylcycloocta-1,3,5-triene
CID 123254366
2-cyclohepta-1,4,6-trien-1-ylaniline
CID 134382260
4-N-[4-(4-anilinoanilino)cyclohexa-1,5-dien-1-yl]-1-N-cyclohexa-2,4-dien-1-ylbenzene-1,4-diamine
CID 163414303
N-cyclohexa-1,3-dien-1-yl-4-phenylaniline
CID 134504686

Frequently Asked Questions

What is the IUPAC name of 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine (CID 145327932) is 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine is C1=CCC=C(C2=CCC=C(Nc3ccc(-c4ccccc4)cc3)C=C2)C=C1.
What is the InChIKey of 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine?
The InChIKey is OXIUXNYDCAGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-2-5-10-21(9-4-1)23-13-8-14-25(18-15-23)27-26-19-16-24(17-20-26)22-11-6-3-7-12-22/h1-4,6-7,9-20,27H,5,8H2.
What are the key properties of 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine?
5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine has a molecular weight of 349.48 g/mol, XLogP of 6.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 145327932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).