9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole

C69H43N5S — CID 139303080

IUPAC9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cccc(-c8cccc9c8sc8ccccc89)c76)n5)c4)c3)c2)cc1
InChIInChI=1S/C69H43N5S/c1-3-19-44(20-4-1)46-23-15-24-47(41-46)48-39-40-63(73-60-35-11-7-27-51(60)52-28-8-12-36-61(52)73)59(43-48)49-25-16-26-50(42-49)68-70-67(45-21-5-2-6-22-45)71-69(72-68)74-62-37-13-9-29-53(62)55-31-17-32-56(65(55)74)58-34-18-33-57-54-30-10-14-38-64(54)75-66(57)58/h1-43H
InChIKeyCPIZZPAQJOBDOP-UHFFFAOYSA-N
MW974.21 g/mol
LogP18.44
Rot. Bonds8

About 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole

9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole (PubChem CID 139303080) has the molecular formula C69H43N5S and a molecular weight of 974.21 g/mol. Its IUPAC name is 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
PubChem CID139303080
Molecular FormulaC69H43N5S
Molecular Weight974.21 g/mol
Exact Mass973.32
IUPAC Name9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cccc(-c8cccc9c8sc8ccccc89)c76)n5)c4)c3)c2)cc1
InChIInChI=1S/C69H43N5S/c1-3-19-44(20-4-1)46-23-15-24-47(41-46)48-39-40-63(73-60-35-11-7-27-51(60)52-28-8-12-36-61(52)73)59(43-48)49-25-16-26-50(42-49)68-70-67(45-21-5-2-6-22-45)71-69(72-68)74-62-37-13-9-29-53(62)55-31-17-32-56(65(55)74)58-34-18-33-57-54-30-10-14-38-64(54)75-66(57)58/h1-43H
InChIKeyCPIZZPAQJOBDOP-UHFFFAOYSA-N
XLogP18.44
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.21
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165032572
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-dibenzothiophen-4-ylcarbazole;2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165033898
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303270
5-[2-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
9-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153176300
2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164972347
2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 161177028
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165397
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole
CID 168831689

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole (CID 139303080) is 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cccc(-c8cccc9c8sc8ccccc89)c76)n5)c4)c3)c2)cc1.
What is the InChIKey of 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole?
The InChIKey is CPIZZPAQJOBDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5S/c1-3-19-44(20-4-1)46-23-15-24-47(41-46)48-39-40-63(73-60-35-11-7-27-51(60)52-28-8-12-36-61(52)73)59(43-48)49-25-16-26-50(42-49)68-70-67(45-21-5-2-6-22-45)71-69(72-68)74-62-37-13-9-29-53(62)55-31-17-32-56(65(55)74)58-34-18-33-57-54-30-10-14-38-64(54)75-66(57)58/h1-43H.
What are the key properties of 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole?
9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole has a molecular weight of 974.21 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 139303080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).