4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline

C28H23N — CID 166860816

IUPAC4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline
SMILESC1=Cc2ccccc2C(c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)C1
InChIInChI=1S/C28H23N/c1-2-7-21(8-3-1)22-13-17-25(18-14-22)29-26-19-15-24(16-20-26)28-12-6-10-23-9-4-5-11-27(23)28/h1-11,13-20,28-29H,12H2
InChIKeyJQJAUXDGPABSFP-UHFFFAOYSA-N
MW373.50 g/mol
LogP7.65
Rot. Bonds4

About 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline

4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline (PubChem CID 166860816) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline
PubChem CID166860816
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline
SMILESC1=Cc2ccccc2C(c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)C1
InChIInChI=1S/C28H23N/c1-2-7-21(8-3-1)22-13-17-25(18-14-22)29-26-19-15-24(16-20-26)28-12-6-10-23-9-4-5-11-27(23)28/h1-11,13-20,28-29H,12H2
InChIKeyJQJAUXDGPABSFP-UHFFFAOYSA-N
XLogP7.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170222893
1,2-dihydronaphthalen-1-ylphosphane
CID 154530712
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine
CID 138738236
4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline
CID 143060533
N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline
CID 71051968
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
4-(2-deuteriophenyl)-N-phenylaniline
CID 171832508
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
(5S,6R)-6-methyl-6,7-dihydro-5H-benzo[7]annulen-5-olate
CID 164667977

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline (CID 166860816) is 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline is C1=Cc2ccccc2C(c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)C1.
What is the InChIKey of 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is JQJAUXDGPABSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-2-7-21(8-3-1)22-13-17-25(18-14-22)29-26-19-15-24(16-20-26)28-12-6-10-23-9-4-5-11-27(23)28/h1-11,13-20,28-29H,12H2.
What are the key properties of 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline?
4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 373.50 g/mol, XLogP of 7.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166860816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).