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

C63H37N5OS — CID 168807647

IUPAC1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9c8sc8ccccc89)n7)cc65)c43)c2)cc1
InChIInChI=1S/C63H37N5OS/c1-2-15-38(16-3-1)39-17-12-18-42(35-39)67-52-26-8-5-20-44(52)49-23-14-28-54(59(49)67)68-53-27-9-4-19-43(53)45-33-31-40(36-55(45)68)61-64-62(41-32-34-47-46-21-6-10-29-56(46)69-57(47)37-41)66-63(65-61)51-25-13-24-50-48-22-7-11-30-58(48)70-60(50)51/h1-37H
InChIKeyLADYJAGUAUPJMQ-UHFFFAOYSA-N
MW912.09 g/mol
LogP17.00
Rot. Bonds6

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

1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 168807647) has the molecular formula C63H37N5OS and a molecular weight of 912.09 g/mol. Its IUPAC name is 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
PubChem CID168807647
Molecular FormulaC63H37N5OS
Molecular Weight912.09 g/mol
Exact Mass911.27
IUPAC Name1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9c8sc8ccccc89)n7)cc65)c43)c2)cc1
InChIInChI=1S/C63H37N5OS/c1-2-15-38(16-3-1)39-17-12-18-42(35-39)67-52-26-8-5-20-44(52)49-23-14-28-54(59(49)67)68-53-27-9-4-19-43(53)45-33-31-40(36-55(45)68)61-64-62(41-32-34-47-46-21-6-10-29-56(46)69-57(47)37-41)66-63(65-61)51-25-13-24-50-48-22-7-11-30-58(48)70-60(50)51/h1-37H
InChIKeyLADYJAGUAUPJMQ-UHFFFAOYSA-N
XLogP17.00
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.09
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
2-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-dibenzofuran-3-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164947961
12-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953083
1-[3-(4-dibenzothiophen-4-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807726
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807728
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 165076268
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165560
12-dibenzothiophen-4-yl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385380

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole (CID 168807647) is 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9c8sc8ccccc89)n7)cc65)c43)c2)cc1.
What is the InChIKey of 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is LADYJAGUAUPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5OS/c1-2-15-38(16-3-1)39-17-12-18-42(35-39)67-52-26-8-5-20-44(52)49-23-14-28-54(59(49)67)68-53-27-9-4-19-43(53)45-33-31-40(36-55(45)68)61-64-62(41-32-34-47-46-21-6-10-29-56(46)69-57(47)37-41)66-63(65-61)51-25-13-24-50-48-22-7-11-30-58(48)70-60(50)51/h1-37H.
What are the key properties of 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 912.09 g/mol, XLogP of 17.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 168807647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).