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

C56H39N — CID 168789214

IUPACN-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H39N/c1-3-18-40(19-4-1)48-27-11-12-30-52(48)56-50(43-20-5-2-6-21-43)32-17-33-53(56)51-29-13-14-34-55(51)57(54-35-16-25-42-23-8-10-28-49(42)54)45-38-36-44(37-39-45)47-31-15-24-41-22-7-9-26-46(41)47/h1-39H
InChIKeyHYMPQNBELBTJKI-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

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

N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 168789214) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
PubChem CID168789214
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H39N/c1-3-18-40(19-4-1)48-27-11-12-30-52(48)56-50(43-20-5-2-6-21-43)32-17-33-53(56)51-29-13-14-34-55(51)57(54-35-16-25-42-23-8-10-28-49(42)54)45-38-36-44(37-39-45)47-31-15-24-41-22-7-9-26-46(41)47/h1-39H
InChIKeyHYMPQNBELBTJKI-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168791070
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501728
3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 168791024
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788673
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (CID 168789214) is N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is HYMPQNBELBTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-3-18-40(19-4-1)48-27-11-12-30-52(48)56-50(43-20-5-2-6-21-43)32-17-33-53(56)51-29-13-14-34-55(51)57(54-35-16-25-42-23-8-10-28-49(42)54)45-38-36-44(37-39-45)47-31-15-24-41-22-7-9-26-46(41)47/h1-39H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 725.94 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 168789214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).