9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole

C51H34N4S — CID 145094247

IUPAC9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-n5c6ccccc6c6ccccc65)c4)c3)n2)=CCC1
InChIInChI=1S/C51H34N4S/c1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)36-20-13-19-35(29-36)37-30-38(40-24-14-25-44-43-23-9-12-28-47(43)56-48(40)44)32-39(31-37)55-45-26-10-7-21-41(45)42-22-8-11-27-46(42)55/h1,3-5,7-32H,2,6H2
InChIKeyZUVNIJQJMZSOGX-UHFFFAOYSA-N
MW734.93 g/mol
LogP13.74
Rot. Bonds6

About 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole

9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole (PubChem CID 145094247) has the molecular formula C51H34N4S and a molecular weight of 734.93 g/mol. Its IUPAC name is 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole
PubChem CID145094247
Molecular FormulaC51H34N4S
Molecular Weight734.93 g/mol
Exact Mass734.25
IUPAC Name9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-n5c6ccccc6c6ccccc65)c4)c3)n2)=CCC1
InChIInChI=1S/C51H34N4S/c1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)36-20-13-19-35(29-36)37-30-38(40-24-14-25-44-43-23-9-12-28-47(43)56-48(40)44)32-39(31-37)55-45-26-10-7-21-41(45)42-22-8-11-27-46(42)55/h1,3-5,7-32H,2,6H2
InChIKeyZUVNIJQJMZSOGX-UHFFFAOYSA-N
XLogP13.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.93
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole;ethane
CID 145094277
2-cyclohexa-1,5-dien-1-yl-4-[3-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 167032919
2-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
CID 122591922
12-[3-dibenzothiophen-4-yl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946479
9-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 146179615
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
9-[3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381314
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole
CID 160903722
3-dibenzothiophen-4-yl-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164957895
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole?
The IUPAC name of 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole (CID 145094247) is 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole?
The canonical SMILES for 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole is C1=CC(c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-n5c6ccccc6c6ccccc65)c4)c3)n2)=CCC1.
What is the InChIKey of 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole?
The InChIKey is ZUVNIJQJMZSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4S/c1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)36-20-13-19-35(29-36)37-30-38(40-24-14-25-44-43-23-9-12-28-47(43)56-48(40)44)32-39(31-37)55-45-26-10-7-21-41(45)42-22-8-11-27-46(42)55/h1,3-5,7-32H,2,6H2.
What are the key properties of 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole?
9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole has a molecular weight of 734.93 g/mol, XLogP of 13.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]carbazole is sourced from PubChem (CID 145094247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).