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

C51H34N4O — CID 170095491

IUPAC7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5c4c3)cc2)cc1
InChIInChI=1S/C51H34N4O/c1-5-13-35(14-6-1)36-25-28-43(29-26-36)55(42-19-11-4-12-20-42)44-30-32-47-46(34-44)45-31-27-41(33-48(45)56-47)37-21-23-40(24-22-37)51-53-49(38-15-7-2-8-16-38)52-50(54-51)39-17-9-3-10-18-39/h1-34H
InChIKeyRYXMQABXRQPGDC-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.58
Rot. Bonds8

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

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 170095491) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID170095491
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5c4c3)cc2)cc1
InChIInChI=1S/C51H34N4O/c1-5-13-35(14-6-1)36-25-28-43(29-26-36)55(42-19-11-4-12-20-42)44-30-32-47-46(34-44)45-31-27-41(33-48(45)56-47)37-21-23-40(24-22-37)51-53-49(38-15-7-2-8-16-38)52-50(54-51)39-17-9-3-10-18-39/h1-34H
InChIKeyRYXMQABXRQPGDC-UHFFFAOYSA-N
XLogP13.58
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095126
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170095080
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
CID 170093374
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170383671
7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095426
N,N,17-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171049996
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 170095491) is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5c4c3)cc2)cc1.
What is the InChIKey of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is RYXMQABXRQPGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-13-35(14-6-1)36-25-28-43(29-26-36)55(42-19-11-4-12-20-42)44-30-32-47-46(34-44)45-31-27-41(33-48(45)56-47)37-21-23-40(24-22-37)51-53-49(38-15-7-2-8-16-38)52-50(54-51)39-17-9-3-10-18-39/h1-34H.
What are the key properties of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 718.86 g/mol, XLogP of 13.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).