N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine

C54H37N — CID 167235752

IUPACN-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H37N/c1-2-12-38(13-3-1)45-20-10-21-46(34-45)41-28-31-50(32-29-41)55(53-23-11-19-42-16-8-9-22-51(42)53)54-37-48(47-26-24-39-14-4-6-17-43(39)35-47)30-33-52(54)49-27-25-40-15-5-7-18-44(40)36-49/h1-37H
InChIKeyZSWXIPCTAVKHMV-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine

N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 167235752) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID167235752
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H37N/c1-2-12-38(13-3-1)45-20-10-21-46(34-45)41-28-31-50(32-29-41)55(53-23-11-19-42-16-8-9-22-51(42)53)54-37-48(47-26-24-39-14-4-6-17-43(39)35-47)30-33-52(54)49-27-25-40-15-5-7-18-44(40)36-49/h1-37H
InChIKeyZSWXIPCTAVKHMV-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dinaphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-phenylphenyl)aniline
CID 167235748
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235226
N-[4-(3,5-diphenylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
CID 167235492
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-(2-phenylphenyl)aniline
CID 167233900
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 164831527
2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167234726
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167234798
N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234570
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine (CID 167235752) is N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2cccc(-c3ccc(N(c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is ZSWXIPCTAVKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-2-12-38(13-3-1)45-20-10-21-46(34-45)41-28-31-50(32-29-41)55(53-23-11-19-42-16-8-9-22-51(42)53)54-37-48(47-26-24-39-14-4-6-17-43(39)35-47)30-33-52(54)49-27-25-40-15-5-7-18-44(40)36-49/h1-37H.
What are the key properties of N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167235752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).