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

C51H30N4OS — CID 158491258

IUPAC4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)33-25-27-36-35-17-8-10-24-45(35)57-46(36)30-33)32-26-28-40-44(29-32)56-43-23-12-20-38(48(40)43)37-19-11-22-42-47(37)39-18-7-9-21-41(39)55(42)34-15-5-2-6-16-34/h1-30H
InChIKeyOBHWBSPOCUGFDP-UHFFFAOYSA-N
MW746.89 g/mol
LogP13.90
Rot. Bonds5

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

4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 158491258) has the molecular formula C51H30N4OS and a molecular weight of 746.89 g/mol. Its IUPAC name is 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
PubChem CID158491258
Molecular FormulaC51H30N4OS
Molecular Weight746.89 g/mol
Exact Mass746.21
IUPAC Name4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)33-25-27-36-35-17-8-10-24-45(35)57-46(36)30-33)32-26-28-40-44(29-32)56-43-23-12-20-38(48(40)43)37-19-11-22-42-47(37)39-18-7-9-21-41(39)55(42)34-15-5-2-6-16-34/h1-30H
InChIKeyOBHWBSPOCUGFDP-UHFFFAOYSA-N
XLogP13.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.89
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-9-phenylcarbazole
CID 170192736
4-[2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 170193088
4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534355
9-[4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952562
2-dibenzothiophen-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;4-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163610821
9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 146572320
2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;3-dibenzofuran-1-yl-9-phenylcarbazole;2-dibenzothiophen-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine
CID 163752902
4-[3-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572660
2-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191917
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146
4-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165098762
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014738

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The IUPAC name of 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (CID 158491258) is 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The InChIKey is OBHWBSPOCUGFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)33-25-27-36-35-17-8-10-24-45(35)57-46(36)30-33)32-26-28-40-44(29-32)56-43-23-12-20-38(48(40)43)37-19-11-22-42-47(37)39-18-7-9-21-41(39)55(42)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole has a molecular weight of 746.89 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 158491258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).