N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine

C51H32N4OS — CID 170096072

IUPACN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cccc34)n2)cc1
InChIInChI=1S/C51H32N4OS/c1-4-13-34(14-5-1)49-52-50(35-15-6-2-7-16-35)54-51(53-49)36-25-29-41-44-21-12-20-40(48(44)56-45(41)31-36)33-23-26-38(27-24-33)55(37-17-8-3-9-18-37)39-28-30-43-42-19-10-11-22-46(42)57-47(43)32-39/h1-32H
InChIKeyFSNPWJSKPCHDCU-UHFFFAOYSA-N
MW748.91 g/mol
LogP14.28
Rot. Bonds7

About N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine

N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine (PubChem CID 170096072) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine
PubChem CID170096072
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC NameN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cccc34)n2)cc1
InChIInChI=1S/C51H32N4OS/c1-4-13-34(14-5-1)49-52-50(35-15-6-2-7-16-35)54-51(53-49)36-25-29-41-44-21-12-20-40(48(44)56-45(41)31-36)33-23-26-38(27-24-33)55(37-17-8-3-9-18-37)39-28-30-43-42-19-10-11-22-46(42)57-47(43)32-39/h1-32H
InChIKeyFSNPWJSKPCHDCU-UHFFFAOYSA-N
XLogP14.28
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 170383559
2-(7-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155477532
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164975390
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167402936
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine;2-(3-dibenzothiophen-3-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-phenyl-4,6-bis(6-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157115619
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2-phenyl-4-[6-(1-phenyldibenzothiophen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200466
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809996
N-(7-dibenzofuran-4-ylphenanthren-2-yl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164966685
3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine
CID 146574174

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine (CID 170096072) is N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cccc34)n2)cc1.
What is the InChIKey of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine?
The InChIKey is FSNPWJSKPCHDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4OS/c1-4-13-34(14-5-1)49-52-50(35-15-6-2-7-16-35)54-51(53-49)36-25-29-41-44-21-12-20-40(48(44)56-45(41)31-36)33-23-26-38(27-24-33)55(37-17-8-3-9-18-37)39-28-30-43-42-19-10-11-22-46(42)57-47(43)32-39/h1-32H.
What are the key properties of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine?
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine has a molecular weight of 748.91 g/mol, XLogP of 14.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 170096072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).