N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine

C36H25NS — CID 139256573

IUPACN,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cccs4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C36H25NS/c1-3-12-26(13-4-1)37(27-14-5-2-6-15-27)35-24-23-32(29-17-9-10-19-33(29)35)31-21-22-34(36-20-11-25-38-36)30-18-8-7-16-28(30)31/h1-25H
InChIKeyJTBHADIUMIULEL-UHFFFAOYSA-N
MW503.67 g/mol
LogP10.86
Rot. Bonds5

About N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine

N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine (PubChem CID 139256573) has the molecular formula C36H25NS and a molecular weight of 503.67 g/mol. Its IUPAC name is N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine
PubChem CID139256573
Molecular FormulaC36H25NS
Molecular Weight503.67 g/mol
Exact Mass503.17
IUPAC NameN,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cccs4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C36H25NS/c1-3-12-26(13-4-1)37(27-14-5-2-6-15-27)35-24-23-32(29-17-9-10-19-33(29)35)31-21-22-34(36-20-11-25-38-36)30-18-8-7-16-28(30)31/h1-25H
InChIKeyJTBHADIUMIULEL-UHFFFAOYSA-N
XLogP10.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.67
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline
CID 175210688
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 118049243
N,N-diphenyl-4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)aniline;N,N-diphenyl-4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)aniline
CID 158787180
N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine
CID 121444325
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-1-benzothiophen-7-yl]carbazol-3-amine
CID 153468476
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
CID 59412956
1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
CID 23074711
N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
CID 58898602
1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione
CID 118655492

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine (CID 139256573) is N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cccs4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine?
The InChIKey is JTBHADIUMIULEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NS/c1-3-12-26(13-4-1)37(27-14-5-2-6-15-27)35-24-23-32(29-17-9-10-19-33(29)35)31-21-22-34(36-20-11-25-38-36)30-18-8-7-16-28(30)31/h1-25H.
What are the key properties of N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine?
N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine has a molecular weight of 503.67 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine is sourced from PubChem (CID 139256573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).