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

C69H41N5OS — CID 168807788

IUPAC1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole
SMILESc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1
InChIInChI=1S/C69H41N5OS/c1-3-18-42(19-4-1)64-46(43-36-38-61-55(40-43)49-24-9-13-34-60(49)75-61)26-15-29-53(64)68-70-67(44-37-39-63-56(41-44)50-25-10-14-35-62(50)76-63)71-69(72-68)54-30-16-27-51-47-22-8-12-32-58(47)74(65(51)54)59-33-17-28-52-48-23-7-11-31-57(48)73(66(52)59)45-20-5-2-6-21-45/h1-41H
InChIKeyZWXUSMIZFWFWDK-UHFFFAOYSA-N
MW988.19 g/mol
LogP18.67
Rot. Bonds7

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

1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole (PubChem CID 168807788) has the molecular formula C69H41N5OS and a molecular weight of 988.19 g/mol. Its IUPAC name is 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole.

Molecular Properties

Compound Name1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole
PubChem CID168807788
Molecular FormulaC69H41N5OS
Molecular Weight988.19 g/mol
Exact Mass987.30
IUPAC Name1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole
SMILESc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1
InChIInChI=1S/C69H41N5OS/c1-3-18-42(19-4-1)64-46(43-36-38-61-55(40-43)49-24-9-13-34-60(49)75-61)26-15-29-53(64)68-70-67(44-37-39-63-56(41-44)50-25-10-14-35-62(50)76-63)71-69(72-68)54-30-16-27-51-47-22-8-12-32-58(47)74(65(51)54)59-33-17-28-52-48-23-7-11-31-57(48)73(66(52)59)45-20-5-2-6-21-45/h1-41H
InChIKeyZWXUSMIZFWFWDK-UHFFFAOYSA-N
XLogP18.67
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.19
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 142592805
1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170132368
1-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767741
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807762
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
9-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-1-dibenzothiophen-2-ylcarbazole
CID 163483112
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
2-(4-dibenzofuran-2-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534556
2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;12-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163482957
9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953299

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole?
The IUPAC name of 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole (CID 168807788) is 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole.
What is the SMILES notation for 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole?
The canonical SMILES for 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole is c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1.
What is the InChIKey of 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole?
The InChIKey is ZWXUSMIZFWFWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5OS/c1-3-18-42(19-4-1)64-46(43-36-38-61-55(40-43)49-24-9-13-34-60(49)75-61)26-15-29-53(64)68-70-67(44-37-39-63-56(41-44)50-25-10-14-35-62(50)76-63)71-69(72-68)54-30-16-27-51-47-22-8-12-32-58(47)74(65(51)54)59-33-17-28-52-48-23-7-11-31-57(48)73(66(52)59)45-20-5-2-6-21-45/h1-41H.
What are the key properties of 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole?
1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole has a molecular weight of 988.19 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-dibenzofuran-2-yl-2-phenylphenyl)-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl]-9-(9-phenylcarbazol-1-yl)carbazole is sourced from PubChem (CID 168807788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).