4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline

C70H48N2 — CID 100927234

IUPAC4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
SMILESNc1ccc(-c2c(-c3ccc4ccccc4c3)cc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)c(-c5ccc(N)cc5)c(-c5ccc6ccccc6c5)c4)cc3)cc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C70H48N2/c71-63-33-29-51(30-34-63)69-65(57-25-21-45-9-1-5-13-53(45)37-57)41-61(42-66(69)58-26-22-46-10-2-6-14-54(46)38-58)49-17-19-50(20-18-49)62-43-67(59-27-23-47-11-3-7-15-55(47)39-59)70(52-31-35-64(72)36-32-52)68(44-62)60-28-24-48-12-4-8-16-56(48)40-60/h1-44H,71-72H2
InChIKeyRVSDZHUKYVAXJU-UHFFFAOYSA-N
MW917.17 g/mol
LogP18.80
Rot. Bonds8

About 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline

4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline (PubChem CID 100927234) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline.

Molecular Properties

Compound Name4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
PubChem CID100927234
Molecular FormulaC70H48N2
Molecular Weight917.17 g/mol
Exact Mass916.38
IUPAC Name4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
SMILESNc1ccc(-c2c(-c3ccc4ccccc4c3)cc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)c(-c5ccc(N)cc5)c(-c5ccc6ccccc6c5)c4)cc3)cc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C70H48N2/c71-63-33-29-51(30-34-63)69-65(57-25-21-45-9-1-5-13-53(45)37-57)41-61(42-66(69)58-26-22-46-10-2-6-14-54(46)38-58)49-17-19-50(20-18-49)62-43-67(59-27-23-47-11-3-7-15-55(47)39-59)70(52-31-35-64(72)36-32-52)68(44-62)60-28-24-48-12-4-8-16-56(48)40-60/h1-44H,71-72H2
InChIKeyRVSDZHUKYVAXJU-UHFFFAOYSA-N
XLogP18.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.17
LogP ≤ 518.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
CID 87150569
2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
ethane;4-naphthalen-2-ylaniline;prop-1-ene
CID 145312998
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline
CID 175802280
6-[1-(4-phenylphenyl)naphthalen-2-yl]naphthalen-2-amine
CID 175272921
2-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177079290
N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808676
4-(9,10-dideuterioanthracen-2-yl)aniline
CID 165150289
2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
aniline;naphthalen-2-amine
CID 158733233
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline?
The IUPAC name of 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline (CID 100927234) is 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline.
What is the SMILES notation for 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline?
The canonical SMILES for 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline is Nc1ccc(-c2c(-c3ccc4ccccc4c3)cc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)c(-c5ccc(N)cc5)c(-c5ccc6ccccc6c5)c4)cc3)cc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline?
The InChIKey is RVSDZHUKYVAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c71-63-33-29-51(30-34-63)69-65(57-25-21-45-9-1-5-13-53(45)37-57)41-61(42-66(69)58-26-22-46-10-2-6-14-54(46)38-58)49-17-19-50(20-18-49)62-43-67(59-27-23-47-11-3-7-15-55(47)39-59)70(52-31-35-64(72)36-32-52)68(44-62)60-28-24-48-12-4-8-16-56(48)40-60/h1-44H,71-72H2.
What are the key properties of 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline?
4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline has a molecular weight of 917.17 g/mol, XLogP of 18.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline is sourced from PubChem (CID 100927234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).