1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine

C49H32N4S — CID 162775198

IUPAC1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C49H32N4S/c1-4-14-33(15-5-1)35-24-27-39(28-25-35)53(40-29-26-34-16-10-11-21-38(34)30-40)41-31-43(46-42-22-12-13-23-44(42)54-45(46)32-41)49-51-47(36-17-6-2-7-18-36)50-48(52-49)37-19-8-3-9-20-37/h1-32H
InChIKeyCHECWLBCDCXSTD-UHFFFAOYSA-N
MW708.89 g/mol
LogP13.53
Rot. Bonds7

About 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 162775198) has the molecular formula C49H32N4S and a molecular weight of 708.89 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID162775198
Molecular FormulaC49H32N4S
Molecular Weight708.89 g/mol
Exact Mass708.23
IUPAC Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C49H32N4S/c1-4-14-33(15-5-1)35-24-27-39(28-25-35)53(40-29-26-34-16-10-11-21-38(34)30-40)41-31-43(46-42-22-12-13-23-44(42)54-45(46)32-41)49-51-47(36-17-6-2-7-18-36)50-48(52-49)37-19-8-3-9-20-37/h1-32H
InChIKeyCHECWLBCDCXSTD-UHFFFAOYSA-N
XLogP13.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 171757058
1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853769
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176854014
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 135277605
3-N-(4-dibenzothiophen-2-ylphenyl)-3-N-naphthalen-2-yl-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604927
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-4-phenylaniline
CID 170038269
N-naphthalen-2-yl-16-phenyl-N-(4-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433154
N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
CID 163844999
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
5-bromo-3-N-dibenzothiophen-3-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134471585

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 162775198) is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is CHECWLBCDCXSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4S/c1-4-14-33(15-5-1)35-24-27-39(28-25-35)53(40-29-26-34-16-10-11-21-38(34)30-40)41-31-43(46-42-22-12-13-23-44(42)54-45(46)32-41)49-51-47(36-17-6-2-7-18-36)50-48(52-49)37-19-8-3-9-20-37/h1-32H.
What are the key properties of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 708.89 g/mol, XLogP of 13.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 162775198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).