N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane

C26H25N — CID 145280455

IUPACN-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane
SMILESC1=CC(Nc2cccc3c4ccccc4c4ccccc4c23)=CCC1.CC
InChIInChI=1S/C24H19N.C2H6/c1-2-9-17(10-3-1)25-23-16-8-15-22-20-12-5-4-11-18(20)19-13-6-7-14-21(19)24(22)23;1-2/h2,4-16,25H,1,3H2;1-2H3
InChIKeyLEQWNTOVDFRBET-UHFFFAOYSA-N
MW351.49 g/mol
LogP7.82
Rot. Bonds2

About N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane

N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane (PubChem CID 145280455) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane
PubChem CID145280455
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC NameN-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane
SMILESC1=CC(Nc2cccc3c4ccccc4c4ccccc4c23)=CCC1.CC
InChIInChI=1S/C24H19N.C2H6/c1-2-9-17(10-3-1)25-23-16-8-15-22-20-12-5-4-11-18(20)19-13-6-7-14-21(19)24(22)23;1-2/h2,4-16,25H,1,3H2;1-2H3
InChIKeyLEQWNTOVDFRBET-UHFFFAOYSA-N
XLogP7.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine
CID 145280456
2-N-cyclohexa-1,5-dien-1-yl-1-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 71090919
2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide
CID 137429104
3-N-cyclohexa-1,5-dien-1-ylbenzene-1,3-diamine
CID 156839435
1-cyclohexa-1,5-dien-1-yl-2-phenylhydrazine
CID 155699448
4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline
CID 144960504
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
CID 167190987
ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
N-cyclohexa-1,5-dien-1-yl-N'-phenylethane-1,2-diamine
CID 71090761
4-N-benzyl-2-N-cyclohexa-1,5-dien-1-ylquinazoline-2,4-diamine;molecular hydrogen
CID 142474336
N-ethylcyclohexa-1,5-dien-1-amine
CID 18448807
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane?
The IUPAC name of N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane (CID 145280455) is N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane is C1=CC(Nc2cccc3c4ccccc4c4ccccc4c23)=CCC1.CC.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane?
The InChIKey is LEQWNTOVDFRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N.C2H6/c1-2-9-17(10-3-1)25-23-16-8-15-22-20-12-5-4-11-18(20)19-13-6-7-14-21(19)24(22)23;1-2/h2,4-16,25H,1,3H2;1-2H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane?
N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane has a molecular weight of 351.49 g/mol, XLogP of 7.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine;ethane is sourced from PubChem (CID 145280455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).