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

C51H34N4O — CID 170095984

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C51H34N4O/c1-5-14-35(15-6-1)36-24-26-37(27-25-36)38-28-31-43(32-29-38)55(42-20-11-4-12-21-42)46-23-13-22-45-44-33-30-41(34-47(44)56-48(45)46)51-53-49(39-16-7-2-8-17-39)52-50(54-51)40-18-9-3-10-19-40/h1-34H
InChIKeySWUZVMBFNKDTHX-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.58
Rot. Bonds8

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

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 170095984) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID170095984
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C51H34N4O/c1-5-14-35(15-6-1)36-24-26-37(27-25-36)38-28-31-43(32-29-38)55(42-20-11-4-12-21-42)46-23-13-22-45-44-33-30-41(34-47(44)56-48(45)46)51-53-49(39-16-7-2-8-17-39)52-50(54-51)40-18-9-3-10-19-40/h1-34H
InChIKeySWUZVMBFNKDTHX-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

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

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Related Compounds

7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170096125
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383591
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 171726902
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171757084
N-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170095768
7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433063
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170096246

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 170095984) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)cc3)cc2)cc1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is SWUZVMBFNKDTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-14-35(15-6-1)36-24-26-37(27-25-36)38-28-31-43(32-29-38)55(42-20-11-4-12-21-42)46-23-13-22-45-44-33-30-41(34-47(44)56-48(45)46)51-53-49(39-16-7-2-8-17-39)52-50(54-51)40-18-9-3-10-19-40/h1-34H.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 170095984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).