4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C34H26N2 — CID 22218375

IUPAC4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C34H26N2/c1-4-15-28(16-5-1)35(29-17-6-2-7-18-29)31-23-25-32(26-24-31)36(30-19-8-3-9-20-30)34-22-12-14-27-13-10-11-21-33(27)34/h1-26H
InChIKeyPECQVYQCTBAFMB-UHFFFAOYSA-N
MW462.60 g/mol
LogP9.78
Rot. Bonds6

About 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 22218375) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID22218375
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC Name4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C34H26N2/c1-4-15-28(16-5-1)35(29-17-6-2-7-18-29)31-23-25-32(26-24-31)36(30-19-8-3-9-20-30)34-22-12-14-27-13-10-11-21-33(27)34/h1-26H
InChIKeyPECQVYQCTBAFMB-UHFFFAOYSA-N
XLogP9.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 22218375) is 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is PECQVYQCTBAFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-4-15-28(16-5-1)35(29-17-6-2-7-18-29)31-23-25-32(26-24-31)36(30-19-8-3-9-20-30)34-22-12-14-27-13-10-11-21-33(27)34/h1-26H.
What are the key properties of 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 462.60 g/mol, XLogP of 9.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 22218375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).