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

C51H34N4OS — CID 170094579

IUPAC7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6sc7ccccc7c6c5)c34)n2)C=C1
InChIInChI=1S/C51H34N4OS/c1-4-13-33(14-5-1)34-23-26-38(27-24-34)55(39-28-30-47-42(32-39)40-19-10-11-22-46(40)57-47)43-20-12-21-44-48(43)41-29-25-37(31-45(41)56-44)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-17,19-32,36H,18H2
InChIKeyHDMOTUKHLFCQCM-UHFFFAOYSA-N
MW750.93 g/mol
LogP14.21
Rot. Bonds7

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

7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 170094579) has the molecular formula C51H34N4OS and a molecular weight of 750.93 g/mol. Its IUPAC name is 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID170094579
Molecular FormulaC51H34N4OS
Molecular Weight750.93 g/mol
Exact Mass750.25
IUPAC Name7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6sc7ccccc7c6c5)c34)n2)C=C1
InChIInChI=1S/C51H34N4OS/c1-4-13-33(14-5-1)34-23-26-38(27-24-34)55(39-28-30-47-42(32-39)40-19-10-11-22-46(40)57-47)43-20-12-21-44-48(43)41-29-25-37(31-45(41)56-44)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-17,19-32,36H,18H2
InChIKeyHDMOTUKHLFCQCM-UHFFFAOYSA-N
XLogP14.21
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.93
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383494
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 170383559
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597205
N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine
CID 176818428
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383591
N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine
CID 164934340
2-[4-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 145430340
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine
CID 164950019
7-(6-cyclohexa-2,4-dien-1-yl-2-phenylpyrimidin-4-yl)-N-phenyl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine
CID 170094653
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
CID 171597017
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[5-[6-(8-phenyldibenzothiophen-3-yl)dibenzofuran-1-yl]cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
CID 166744488

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 170094579) is 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine is C1=CCC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6sc7ccccc7c6c5)c34)n2)C=C1.
What is the InChIKey of 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is HDMOTUKHLFCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4OS/c1-4-13-33(14-5-1)34-23-26-38(27-24-34)55(39-28-30-47-42(32-39)40-19-10-11-22-46(40)57-47)43-20-12-21-44-48(43)41-29-25-37(31-45(41)56-44)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-17,19-32,36H,18H2.
What are the key properties of 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 750.93 g/mol, XLogP of 14.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170094579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).