9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine

C51H34N4O — CID 176818070

IUPAC9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(N(c7ccccc7)c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C51H34N4O/c1-5-16-35(17-6-1)37-20-13-22-39(32-37)49-52-50(40-23-14-21-38(33-40)36-18-7-2-8-19-36)54-51(53-49)44-28-15-29-47-48(44)45-34-43(30-31-46(45)56-47)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42/h1-34H
InChIKeyMAMKZMJTDJSOMA-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.58
Rot. Bonds8

About 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine

9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine (PubChem CID 176818070) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine.

Molecular Properties

Compound Name9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine
PubChem CID176818070
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(N(c7ccccc7)c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C51H34N4O/c1-5-16-35(17-6-1)37-20-13-22-39(32-37)49-52-50(40-23-14-21-38(33-40)36-18-7-2-8-19-36)54-51(53-49)44-28-15-29-47-48(44)45-34-43(30-31-46(45)56-47)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42/h1-34H
InChIKeyMAMKZMJTDJSOMA-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

N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine?
The IUPAC name of 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine (CID 176818070) is 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine.
What is the SMILES notation for 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine?
The canonical SMILES for 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(N(c7ccccc7)c7ccccc7)cc6c45)n3)c2)cc1.
What is the InChIKey of 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine?
The InChIKey is MAMKZMJTDJSOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-16-35(17-6-1)37-20-13-22-39(32-37)49-52-50(40-23-14-21-38(33-40)36-18-7-2-8-19-36)54-51(53-49)44-28-15-29-47-48(44)45-34-43(30-31-46(45)56-47)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42/h1-34H.
What are the key properties of 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine?
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-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 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine is sourced from PubChem (CID 176818070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).