3,4-dinaphthalen-1-yl-2-phenylaniline

C32H23N — CID 174903856

IUPAC3,4-dinaphthalen-1-yl-2-phenylaniline
SMILESNc1ccc(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C32H23N/c33-30-21-20-29(27-18-8-14-22-10-4-6-16-25(22)27)32(31(30)24-12-2-1-3-13-24)28-19-9-15-23-11-5-7-17-26(23)28/h1-21H,33H2
InChIKeyFIVQOQMCNZSTEJ-UHFFFAOYSA-N
MW421.54 g/mol
LogP8.58
Rot. Bonds3

About 3,4-dinaphthalen-1-yl-2-phenylaniline

3,4-dinaphthalen-1-yl-2-phenylaniline (PubChem CID 174903856) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is 3,4-dinaphthalen-1-yl-2-phenylaniline.

Molecular Properties

Compound Name3,4-dinaphthalen-1-yl-2-phenylaniline
PubChem CID174903856
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC Name3,4-dinaphthalen-1-yl-2-phenylaniline
SMILESNc1ccc(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C32H23N/c33-30-21-20-29(27-18-8-14-22-10-4-6-16-25(22)27)32(31(30)24-12-2-1-3-13-24)28-19-9-15-23-11-5-7-17-26(23)28/h1-21H,33H2
InChIKeyFIVQOQMCNZSTEJ-UHFFFAOYSA-N
XLogP8.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
boric acid;1-naphthalen-1-ylnaphthalen-2-amine
CID 174302114
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
(2,3-dinaphthalen-1-yl-4-phenylphenyl)hydrazine
CID 68788404
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389
1,2-dinaphthalen-1-yltriphenylene
CID 166134407
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330

Frequently Asked Questions

What is the IUPAC name of 3,4-dinaphthalen-1-yl-2-phenylaniline?
The IUPAC name of 3,4-dinaphthalen-1-yl-2-phenylaniline (CID 174903856) is 3,4-dinaphthalen-1-yl-2-phenylaniline.
What is the SMILES notation for 3,4-dinaphthalen-1-yl-2-phenylaniline?
The canonical SMILES for 3,4-dinaphthalen-1-yl-2-phenylaniline is Nc1ccc(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1-c1ccccc1.
What is the InChIKey of 3,4-dinaphthalen-1-yl-2-phenylaniline?
The InChIKey is FIVQOQMCNZSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c33-30-21-20-29(27-18-8-14-22-10-4-6-16-25(22)27)32(31(30)24-12-2-1-3-13-24)28-19-9-15-23-11-5-7-17-26(23)28/h1-21H,33H2.
What are the key properties of 3,4-dinaphthalen-1-yl-2-phenylaniline?
3,4-dinaphthalen-1-yl-2-phenylaniline has a molecular weight of 421.54 g/mol, XLogP of 8.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dinaphthalen-1-yl-2-phenylaniline is sourced from PubChem (CID 174903856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).