9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine

C39H30N4O — CID 166975821

IUPAC9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(C2N=C(c3cccc4oc5c(N(c6ccccc6)c6ccccc6)cccc5c34)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C39H30N4O/c1-5-15-27(16-6-1)37-40-38(28-17-7-2-8-18-28)42-39(41-37)32-24-14-26-34-35(32)31-23-13-25-33(36(31)44-34)43(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37-38,40H,(H,41,42)
InChIKeyJXKCUDFNJKMTRV-UHFFFAOYSA-N
MW570.70 g/mol
LogP9.39
Rot. Bonds6

About 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine

9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine (PubChem CID 166975821) has the molecular formula C39H30N4O and a molecular weight of 570.70 g/mol. Its IUPAC name is 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine
PubChem CID166975821
Molecular FormulaC39H30N4O
Molecular Weight570.70 g/mol
Exact Mass570.24
IUPAC Name9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(C2N=C(c3cccc4oc5c(N(c6ccccc6)c6ccccc6)cccc5c34)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C39H30N4O/c1-5-15-27(16-6-1)37-40-38(28-17-7-2-8-18-28)42-39(41-37)32-24-14-26-34-35(32)31-23-13-25-33(36(31)44-34)43(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37-38,40H,(H,41,42)
InChIKeyJXKCUDFNJKMTRV-UHFFFAOYSA-N
XLogP9.39
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 59.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine
CID 154968660
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline
CID 155033319
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549
N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 156553965
9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244517
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244414
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine (CID 166975821) is 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine is c1ccc(C2N=C(c3cccc4oc5c(N(c6ccccc6)c6ccccc6)cccc5c34)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is JXKCUDFNJKMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N4O/c1-5-15-27(16-6-1)37-40-38(28-17-7-2-8-18-28)42-39(41-37)32-24-14-26-34-35(32)31-23-13-25-33(36(31)44-34)43(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37-38,40H,(H,41,42).
What are the key properties of 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine?
9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine has a molecular weight of 570.70 g/mol, XLogP of 9.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 166975821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).