N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine

C22H19N — CID 167190987

IUPACN-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
SMILESC1=CC(c2ccc(Nc3cccc4ccccc34)cc2)=CCC1
InChIInChI=1S/C22H19N/c1-2-7-17(8-3-1)18-13-15-20(16-14-18)23-22-12-6-10-19-9-4-5-11-21(19)22/h2,4-16,23H,1,3H2
InChIKeyAMWIORLKIGPFGE-UHFFFAOYSA-N
MW297.40 g/mol
LogP6.32
Rot. Bonds3

About N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine

N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine (PubChem CID 167190987) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
PubChem CID167190987
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
SMILESC1=CC(c2ccc(Nc3cccc4ccccc34)cc2)=CCC1
InChIInChI=1S/C22H19N/c1-2-7-17(8-3-1)18-13-15-20(16-14-18)23-22-12-6-10-19-9-4-5-11-21(19)22/h2,4-16,23H,1,3H2
InChIKeyAMWIORLKIGPFGE-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-2-amine
CID 146594518
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline
CID 134228987
N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 69417086
4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 4764079
N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine
CID 135258876
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195742
2-(6-cyclohexa-1,5-dien-1-ylnaphthalen-2-yl)-9,10-dinaphthalen-1-ylanthracene
CID 143617555
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
CID 142741242
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 71167976
2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine
CID 142351556

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine (CID 167190987) is N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine is C1=CC(c2ccc(Nc3cccc4ccccc34)cc2)=CCC1.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine?
The InChIKey is AMWIORLKIGPFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-2-7-17(8-3-1)18-13-15-20(16-14-18)23-22-12-6-10-19-9-4-5-11-21(19)22/h2,4-16,23H,1,3H2.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine?
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine has a molecular weight of 297.40 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167190987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).