N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine

C45H30N4O — CID 171597046

IUPACN,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)ccc6c45)n3)c2)cc1
InChIInChI=1S/C45H30N4O/c1-5-15-31(16-6-1)33-19-13-20-34(29-33)44-46-43(32-17-7-2-8-18-32)47-45(48-44)39-25-14-26-40-42(39)38-28-27-37(30-41(38)50-40)49(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-30H
InChIKeyQYBSUJGZSFYDOV-UHFFFAOYSA-N
MW642.76 g/mol
LogP11.91
Rot. Bonds7

About N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine

N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine (PubChem CID 171597046) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
PubChem CID171597046
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC NameN,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)ccc6c45)n3)c2)cc1
InChIInChI=1S/C45H30N4O/c1-5-15-31(16-6-1)33-19-13-20-34(29-33)44-46-43(32-17-7-2-8-18-32)47-45(48-44)39-25-14-26-40-42(39)38-28-27-37(30-41(38)50-40)49(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-30H
InChIKeyQYBSUJGZSFYDOV-UHFFFAOYSA-N
XLogP11.91
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597091
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine
CID 176818070
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 169280951
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-isocyanophenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597007
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095870

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The IUPAC name of N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine (CID 171597046) is N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine.
What is the SMILES notation for N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The canonical SMILES for N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)ccc6c45)n3)c2)cc1.
What is the InChIKey of N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The InChIKey is QYBSUJGZSFYDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-5-15-31(16-6-1)33-19-13-20-34(29-33)44-46-43(32-17-7-2-8-18-32)47-45(48-44)39-25-14-26-40-42(39)38-28-27-37(30-41(38)50-40)49(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-30H.
What are the key properties of N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine has a molecular weight of 642.76 g/mol, XLogP of 11.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 171597046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).