3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole

C49H30N4S — CID 171445727

IUPAC3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4ccc(-c5ccc6sc7ccccc7c6c5)cc34)n2)cc1
InChIInChI=1S/C49H30N4S/c1-3-12-32(13-4-1)47-50-48(35-24-26-44-41(30-35)37-17-7-9-20-43(37)53(44)36-15-5-2-6-16-36)52-49(51-47)39-19-11-14-31-22-23-33(28-40(31)39)34-25-27-46-42(29-34)38-18-8-10-21-45(38)54-46/h1-30H
InChIKeyJUHITBGKRRBSPS-UHFFFAOYSA-N
MW706.87 g/mol
LogP13.16
Rot. Bonds5

About 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole

3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 171445727) has the molecular formula C49H30N4S and a molecular weight of 706.87 g/mol. Its IUPAC name is 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID171445727
Molecular FormulaC49H30N4S
Molecular Weight706.87 g/mol
Exact Mass706.22
IUPAC Name3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4ccc(-c5ccc6sc7ccccc7c6c5)cc34)n2)cc1
InChIInChI=1S/C49H30N4S/c1-3-12-32(13-4-1)47-50-48(35-24-26-44-41(30-35)37-17-7-9-20-43(37)53(44)36-15-5-2-6-16-36)52-49(51-47)39-19-11-14-31-22-23-33(28-40(31)39)34-25-27-46-42(29-34)38-18-8-10-21-45(38)54-46/h1-30H
InChIKeyJUHITBGKRRBSPS-UHFFFAOYSA-N
XLogP13.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzothiol-8-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-9-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[7,6-b][1]benzothiol-7-yl-1,3,5-triazine;3-(4-naphtho[6,7-b][1]benzothiol-10-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 165021659
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 169278825
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
2-dibenzothiophen-1-yl-4-naphtho[2,3-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine;2-naphtho[3,2-b][1]benzothiol-8-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-naphtho[7,6-b][1]benzothiol-7-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-naphtho[7,6-b][1]benzothiol-7-yl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;3-(4-naphtho[6,7-b][1]benzothiol-10-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 162118910
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
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
9-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534530
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 171445727) is 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4ccc(-c5ccc6sc7ccccc7c6c5)cc34)n2)cc1.
What is the InChIKey of 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is JUHITBGKRRBSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S/c1-3-12-32(13-4-1)47-50-48(35-24-26-44-41(30-35)37-17-7-9-20-43(37)53(44)36-15-5-2-6-16-36)52-49(51-47)39-19-11-14-31-22-23-33(28-40(31)39)34-25-27-46-42(29-34)38-18-8-10-21-45(38)54-46/h1-30H.
What are the key properties of 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 706.87 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 171445727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).