4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline

C58H40N2 — CID 87150569

IUPAC4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
SMILESNc1ccc(-c2ccc(-c3c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(N)c(-c4ccc5ccccc5c4)c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H40N2/c59-52-31-29-42(30-32-52)41-17-23-43(24-18-41)53-54(48-25-19-37-9-1-5-13-44(37)33-48)56(50-27-21-39-11-3-7-15-46(39)35-50)58(60)57(51-28-22-40-12-4-8-16-47(40)36-51)55(53)49-26-20-38-10-2-6-14-45(38)34-49/h1-36H,59-60H2
InChIKeyYPGPCKROSGZPOK-UHFFFAOYSA-N
MW764.97 g/mol
LogP15.47
Rot. Bonds6

About 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline

4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline (PubChem CID 87150569) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
PubChem CID87150569
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
SMILESNc1ccc(-c2ccc(-c3c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(N)c(-c4ccc5ccccc5c4)c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H40N2/c59-52-31-29-42(30-32-52)41-17-23-43(24-18-41)53-54(48-25-19-37-9-1-5-13-44(37)33-48)56(50-27-21-39-11-3-7-15-46(39)35-50)58(60)57(51-28-22-40-12-4-8-16-47(40)36-51)55(53)49-26-20-38-10-2-6-14-45(38)34-49/h1-36H,59-60H2
InChIKeyYPGPCKROSGZPOK-UHFFFAOYSA-N
XLogP15.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 515.47
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-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
CID 100927234
ethane;4-naphthalen-2-ylaniline;prop-1-ene
CID 145312998
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline
CID 22630523
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline
CID 87615494
4-(9,10-dideuterioanthracen-2-yl)aniline
CID 165150289
4-(4-aminophenyl)-2,3,5,6-tetrakis(2-pentaphen-6-yl-4-phenylphenyl)aniline
CID 87894225
aniline;naphthalen-2-amine
CID 158733233
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
benzo[f]azulene
CID 13065869
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline?
The IUPAC name of 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline (CID 87150569) is 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline.
What is the SMILES notation for 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline?
The canonical SMILES for 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline is Nc1ccc(-c2ccc(-c3c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(N)c(-c4ccc5ccccc5c4)c3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline?
The InChIKey is YPGPCKROSGZPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c59-52-31-29-42(30-32-52)41-17-23-43(24-18-41)53-54(48-25-19-37-9-1-5-13-44(37)33-48)56(50-27-21-39-11-3-7-15-46(39)35-50)58(60)57(51-28-22-40-12-4-8-16-47(40)36-51)55(53)49-26-20-38-10-2-6-14-45(38)34-49/h1-36H,59-60H2.
What are the key properties of 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline?
4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline has a molecular weight of 764.97 g/mol, XLogP of 15.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline is sourced from PubChem (CID 87150569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).