2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C60H41N — CID 167234726

IUPAC2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C60H41N/c1-2-12-42(13-3-1)44-24-26-45(27-25-44)46-30-35-53(36-31-46)61(54-37-32-47(33-38-54)51-29-28-43-14-4-5-17-50(43)40-51)60-41-52(57-22-10-18-48-15-6-8-20-55(48)57)34-39-59(60)58-23-11-19-49-16-7-9-21-56(49)58/h1-41H
InChIKeyNIXUKBQFRXGZKF-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.95
Rot. Bonds8

About 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167234726) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167234726
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC Name2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C60H41N/c1-2-12-42(13-3-1)44-24-26-45(27-25-44)46-30-35-53(36-31-46)61(54-37-32-47(33-38-54)51-29-28-43-14-4-5-17-50(43)40-51)60-41-52(57-22-10-18-48-15-6-8-20-55(48)57)34-39-59(60)58-23-11-19-49-16-7-9-21-56(49)58/h1-41H
InChIKeyNIXUKBQFRXGZKF-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167234798
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167235718
N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234570
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235226
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219
N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167235752
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953

Frequently Asked Questions

What is the IUPAC name of 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167234726) is 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is NIXUKBQFRXGZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-2-12-42(13-3-1)44-24-26-45(27-25-44)46-30-35-53(36-31-46)61(54-37-32-47(33-38-54)51-29-28-43-14-4-5-17-50(43)40-51)60-41-52(57-22-10-18-48-15-6-8-20-55(48)57)34-39-59(60)58-23-11-19-49-16-7-9-21-56(49)58/h1-41H.
What are the key properties of 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 776.00 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167234726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).