N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine

C45H30N2S — CID 163726949

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine
SMILESc1ccc(-c2nc3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cccc3s2)cc1
InChIInChI=1S/C45H30N2S/c1-2-12-35(13-3-1)45-46-44-42(18-9-19-43(44)48-45)47(38-26-22-32(23-27-38)37-21-20-31-10-4-5-14-36(31)30-37)39-28-24-34(25-29-39)41-17-8-15-33-11-6-7-16-40(33)41/h1-30H
InChIKeyKWKSVNZODGPGSZ-UHFFFAOYSA-N
MW630.82 g/mol
LogP13.07
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine (PubChem CID 163726949) has the molecular formula C45H30N2S and a molecular weight of 630.82 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine
PubChem CID163726949
Molecular FormulaC45H30N2S
Molecular Weight630.82 g/mol
Exact Mass630.21
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine
SMILESc1ccc(-c2nc3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cccc3s2)cc1
InChIInChI=1S/C45H30N2S/c1-2-12-35(13-3-1)45-46-44-42(18-9-19-43(44)48-45)47(38-26-22-32(23-27-38)37-21-20-31-10-4-5-14-36(31)30-37)39-28-24-34(25-29-39)41-17-8-15-33-11-6-7-16-40(33)41/h1-30H
InChIKeyKWKSVNZODGPGSZ-UHFFFAOYSA-N
XLogP13.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.82
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235358
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-2-amine
CID 166055525
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 167087066

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine (CID 163726949) is N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine is c1ccc(-c2nc3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cccc3s2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine?
The InChIKey is KWKSVNZODGPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2S/c1-2-12-35(13-3-1)45-46-44-42(18-9-19-43(44)48-45)47(38-26-22-32(23-27-38)37-21-20-31-10-4-5-14-36(31)30-37)39-28-24-34(25-29-39)41-17-8-15-33-11-6-7-16-40(33)41/h1-30H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine has a molecular weight of 630.82 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-1,3-benzothiazol-4-amine is sourced from PubChem (CID 163726949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).