N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine

C56H42N2 — CID 131993024

IUPACN-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine
SMILESC1=c2ccccc2=C(N(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)CC1
InChIInChI=1S/C56H42N2/c1-3-20-48(21-4-1)57(50-38-36-42(37-39-50)47-35-30-41-16-7-8-18-46(41)40-47)54-27-13-11-25-52(54)44-31-33-45(34-32-44)53-26-12-14-28-55(53)58(49-22-5-2-6-23-49)56-29-15-19-43-17-9-10-24-51(43)56/h1-14,16-28,30-40H,15,29H2
InChIKeySHDDGFPUAGVSJY-UHFFFAOYSA-N
MW742.97 g/mol
LogP13.83
Rot. Bonds9

About N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine

N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine (PubChem CID 131993024) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine
PubChem CID131993024
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC NameN-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine
SMILESC1=c2ccccc2=C(N(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)CC1
InChIInChI=1S/C56H42N2/c1-3-20-48(21-4-1)57(50-38-36-42(37-39-50)47-35-30-41-16-7-8-18-46(41)40-47)54-27-13-11-25-52(54)44-31-33-45(34-32-44)53-26-12-14-28-55(53)58(49-22-5-2-6-23-49)56-29-15-19-43-17-9-10-24-51(43)56/h1-14,16-28,30-40H,15,29H2
InChIKeySHDDGFPUAGVSJY-UHFFFAOYSA-N
XLogP13.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,3-dihydronaphthalen-1-amine
CID 167202542
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170675794
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
2-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167271683
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-(2-phenylphenyl)aniline
CID 167233900
2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 172502420

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine?
The IUPAC name of N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine (CID 131993024) is N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine.
What is the SMILES notation for N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine?
The canonical SMILES for N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine is C1=c2ccccc2=C(N(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)CC1.
What is the InChIKey of N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine?
The InChIKey is SHDDGFPUAGVSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-3-20-48(21-4-1)57(50-38-36-42(37-39-50)47-35-30-41-16-7-8-18-46(41)40-47)54-27-13-11-25-52(54)44-31-33-45(34-32-44)53-26-12-14-28-55(53)58(49-22-5-2-6-23-49)56-29-15-19-43-17-9-10-24-51(43)56/h1-14,16-28,30-40H,15,29H2.
What are the key properties of N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine?
N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine has a molecular weight of 742.97 g/mol, XLogP of 13.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenyl-2,3-dihydronaphthalen-1-amine is sourced from PubChem (CID 131993024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).