N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline

C52H37N — CID 121477367

IUPACN-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H37N/c1-4-13-38(14-5-1)40-23-25-44(26-24-40)51-36-35-48(37-52(51)43-17-8-3-9-18-43)53(46-31-27-41(28-32-46)39-15-6-2-7-16-39)47-33-29-45(30-34-47)50-22-12-20-42-19-10-11-21-49(42)50/h1-37H
InChIKeyYISHXULRUVVFSA-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.64
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline (PubChem CID 121477367) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
PubChem CID121477367
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H37N/c1-4-13-38(14-5-1)40-23-25-44(26-24-40)51-36-35-48(37-52(51)43-17-8-3-9-18-43)53(46-31-27-41(28-32-46)39-15-6-2-7-16-39)47-33-29-45(30-34-47)50-22-12-20-42-19-10-11-21-49(42)50/h1-37H
InChIKeyYISHXULRUVVFSA-UHFFFAOYSA-N
XLogP14.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
N-(4-benzo[g]phenanthren-4-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167183300
bis(3,5-diphenyl-N,N-bis(4-phenylphenyl)-4-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline);N,3-diphenyl-N-(4-phenylphenyl)-4-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)-4-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline;3-phenyl-N,N-bis(4-phenylphenyl)-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 158742458
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline (CID 121477367) is N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline?
The InChIKey is YISHXULRUVVFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-4-13-38(14-5-1)40-23-25-44(26-24-40)51-36-35-48(37-52(51)43-17-8-3-9-18-43)53(46-31-27-41(28-32-46)39-15-6-2-7-16-39)47-33-29-45(30-34-47)50-22-12-20-42-19-10-11-21-49(42)50/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline?
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline has a molecular weight of 675.88 g/mol, XLogP of 14.64, 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)-3-phenyl-N,4-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 121477367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).