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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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).