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

C57H34N4OS — CID 142568311

IUPAC9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cccc(-c6cccc(-c7cccc8sc9ccccc9c78)c6)c54)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C57H34N4OS/c1-2-13-35(14-3-1)55-58-56(60-57(59-55)39-29-32-45-44-18-5-8-24-49(44)62-50(45)34-39)36-27-30-40(31-28-36)61-48-23-7-4-17-43(48)46-22-11-21-42(54(46)61)38-16-10-15-37(33-38)41-20-12-26-52-53(41)47-19-6-9-25-51(47)63-52/h1-34H
InChIKeyBBJXDEZFERCTON-UHFFFAOYSA-N
MW822.99 g/mol
LogP15.57
Rot. Bonds6

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

9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole (PubChem CID 142568311) has the molecular formula C57H34N4OS and a molecular weight of 822.99 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
PubChem CID142568311
Molecular FormulaC57H34N4OS
Molecular Weight822.99 g/mol
Exact Mass822.25
IUPAC Name9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cccc(-c6cccc(-c7cccc8sc9ccccc9c78)c6)c54)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C57H34N4OS/c1-2-13-35(14-3-1)55-58-56(60-57(59-55)39-29-32-45-44-18-5-8-24-49(44)62-50(45)34-39)36-27-30-40(31-28-36)61-48-23-7-4-17-43(48)46-22-11-21-42(54(46)61)38-16-10-15-37(33-38)41-20-12-26-52-53(41)47-19-6-9-25-51(47)63-52/h1-34H
InChIKeyBBJXDEZFERCTON-UHFFFAOYSA-N
XLogP15.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.99
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767741
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010716
16-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 168767770
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
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985
2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768205
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632
9-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-1-dibenzothiophen-2-ylcarbazole
CID 163483112
4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534355
9-[4-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357989
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole?
The IUPAC name of 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole (CID 142568311) is 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole.
What is the SMILES notation for 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole?
The canonical SMILES for 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cccc(-c6cccc(-c7cccc8sc9ccccc9c78)c6)c54)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole?
The InChIKey is BBJXDEZFERCTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4OS/c1-2-13-35(14-3-1)55-58-56(60-57(59-55)39-29-32-45-44-18-5-8-24-49(44)62-50(45)34-39)36-27-30-40(31-28-36)61-48-23-7-4-17-43(48)46-22-11-21-42(54(46)61)38-16-10-15-37(33-38)41-20-12-26-52-53(41)47-19-6-9-25-51(47)63-52/h1-34H.
What are the key properties of 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole?
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole has a molecular weight of 822.99 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole is sourced from PubChem (CID 142568311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).