N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline

C43H31N5S — CID 102341987

IUPACN,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4cccs4)n3)cc2)cc1
InChIInChI=1S/C43H31N5S/c1-5-14-34(15-6-1)47(35-16-7-2-8-17-35)38-27-23-32(24-28-38)41-44-42(46-43(45-41)40-22-13-31-49-40)33-25-29-39(30-26-33)48(36-18-9-3-10-19-36)37-20-11-4-12-21-37/h1-31H
InChIKeySLRZYZSKLZMIJJ-UHFFFAOYSA-N
MW649.82 g/mol
LogP11.87
Rot. Bonds9

About N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline

N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline (PubChem CID 102341987) has the molecular formula C43H31N5S and a molecular weight of 649.82 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
PubChem CID102341987
Molecular FormulaC43H31N5S
Molecular Weight649.82 g/mol
Exact Mass649.23
IUPAC NameN,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4cccs4)n3)cc2)cc1
InChIInChI=1S/C43H31N5S/c1-5-14-34(15-6-1)47(35-16-7-2-8-17-35)38-27-23-32(24-28-38)41-44-42(46-43(45-41)40-22-13-31-49-40)33-25-29-39(30-26-33)48(36-18-9-3-10-19-36)37-20-11-4-12-21-37/h1-31H
InChIKeySLRZYZSKLZMIJJ-UHFFFAOYSA-N
XLogP11.87
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.82
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
CID 139202565
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
CID 23074711
2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 86005531
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
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
2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine
CID 121315563
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline (CID 102341987) is N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4cccs4)n3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline?
The InChIKey is SLRZYZSKLZMIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5S/c1-5-14-34(15-6-1)47(35-16-7-2-8-17-35)38-27-23-32(24-28-38)41-44-42(46-43(45-41)40-22-13-31-49-40)33-25-29-39(30-26-33)48(36-18-9-3-10-19-36)37-20-11-4-12-21-37/h1-31H.
What are the key properties of N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline?
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline has a molecular weight of 649.82 g/mol, XLogP of 11.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 102341987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).