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

C45H30N4O — CID 170095080

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)c2)cc1
InChIInChI=1S/C45H30N4O/c1-5-14-31(15-6-1)34-20-13-23-37(28-34)49(36-21-11-4-12-22-36)38-25-27-41-40(30-38)39-26-24-35(29-42(39)50-41)45-47-43(32-16-7-2-8-17-32)46-44(48-45)33-18-9-3-10-19-33/h1-30H
InChIKeyZHBSCTJHIYOPGZ-UHFFFAOYSA-N
MW642.76 g/mol
LogP11.91
Rot. Bonds7

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

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 170095080) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID170095080
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)c2)cc1
InChIInChI=1S/C45H30N4O/c1-5-14-31(15-6-1)34-20-13-23-37(28-34)49(36-21-11-4-12-22-36)38-25-27-41-40(30-38)39-26-24-35(29-42(39)50-41)45-47-43(32-16-7-2-8-17-32)46-44(48-45)33-18-9-3-10-19-33/h1-30H
InChIKeyZHBSCTJHIYOPGZ-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

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095126
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
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
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-phenyl-4-(7-phenyldibenzofuran-2-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 139549251

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine (CID 170095080) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)c2)cc1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is ZHBSCTJHIYOPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-5-14-31(15-6-1)34-20-13-23-37(28-34)49(36-21-11-4-12-22-36)38-25-27-41-40(30-38)39-26-24-35(29-42(39)50-41)45-47-43(32-16-7-2-8-17-32)46-44(48-45)33-18-9-3-10-19-33/h1-30H.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-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 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170095080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).