1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole

C57H35N5S — CID 176874220

IUPAC1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6c7ccccc7n(-c7cccc8c7c7ccccc7n8-c7ccccc7)c56)c34)n2)cc1
InChIInChI=1S/C57H35N5S/c1-4-18-36(19-5-1)55-58-56(37-20-6-2-7-21-37)60-57(59-55)45-30-15-29-44-51-40(26-16-35-50(51)63-54(44)45)42-28-14-27-41-39-24-10-12-31-46(39)62(53(41)42)49-34-17-33-48-52(49)43-25-11-13-32-47(43)61(48)38-22-8-3-9-23-38/h1-35H
InChIKeyNZODNIJTEITJHY-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

About 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole

1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 176874220) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
PubChem CID176874220
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6c7ccccc7n(-c7cccc8c7c7ccccc7n8-c7ccccc7)c56)c34)n2)cc1
InChIInChI=1S/C57H35N5S/c1-4-18-36(19-5-1)55-58-56(37-20-6-2-7-21-37)60-57(59-55)45-30-15-29-44-51-40(26-16-35-50(51)63-54(44)45)42-28-14-27-41-39-24-10-12-31-46(39)62(53(41)42)49-34-17-33-48-52(49)43-25-11-13-32-47(43)61(48)38-22-8-3-9-23-38/h1-35H
InChIKeyNZODNIJTEITJHY-UHFFFAOYSA-N
XLogP15.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.01
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807829
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874272
9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 163690161
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273676
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 147359936
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602240
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169010620
5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 118154221
2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174275118
4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-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 171591597
4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 154978644

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole (CID 176874220) is 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6c7ccccc7n(-c7cccc8c7c7ccccc7n8-c7ccccc7)c56)c34)n2)cc1.
What is the InChIKey of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is NZODNIJTEITJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-4-18-36(19-5-1)55-58-56(37-20-6-2-7-21-37)60-57(59-55)45-30-15-29-44-51-40(26-16-35-50(51)63-54(44)45)42-28-14-27-41-39-24-10-12-31-46(39)62(53(41)42)49-34-17-33-48-52(49)43-25-11-13-32-47(43)61(48)38-22-8-3-9-23-38/h1-35H.
What are the key properties of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 176874220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).