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

C45H30N4S — CID 166919142

IUPAC9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=C(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)C=C(n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C45H30N4S/c1-2-12-30(13-3-1)43-46-44(48-45(47-43)37-19-11-23-41-42(37)36-18-6-9-22-40(36)50-41)31-26-24-29(25-27-31)32-14-10-15-33(28-32)49-38-20-7-4-16-34(38)35-17-5-8-21-39(35)49/h1-9,11-14,16-28H,10,15H2
InChIKeyHWIKJSXJTSCJLD-UHFFFAOYSA-N
MW658.83 g/mol
LogP12.07
Rot. Bonds5

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

9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 166919142) has the molecular formula C45H30N4S and a molecular weight of 658.83 g/mol. Its IUPAC name is 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID166919142
Molecular FormulaC45H30N4S
Molecular Weight658.83 g/mol
Exact Mass658.22
IUPAC Name9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=C(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)C=C(n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C45H30N4S/c1-2-12-30(13-3-1)43-46-44(48-45(47-43)37-19-11-23-41-42(37)36-18-6-9-22-40(36)50-41)31-26-24-29(25-27-31)32-14-10-15-33(28-32)49-38-20-7-4-16-34(38)35-17-5-8-21-39(35)49/h1-9,11-14,16-28H,10,15H2
InChIKeyHWIKJSXJTSCJLD-UHFFFAOYSA-N
XLogP12.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010927
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
9-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534530
9-[4-[3-(9-dibenzothiophen-1-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358003
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648774
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158332810

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole (CID 166919142) is 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole is C1=C(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)C=C(n2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is HWIKJSXJTSCJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4S/c1-2-12-30(13-3-1)43-46-44(48-45(47-43)37-19-11-23-41-42(37)36-18-6-9-22-40(36)50-41)31-26-24-29(25-27-31)32-14-10-15-33(28-32)49-38-20-7-4-16-34(38)35-17-5-8-21-39(35)49/h1-9,11-14,16-28H,10,15H2.
What are the key properties of 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 658.83 g/mol, XLogP of 12.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 166919142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).