2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole

C63H37N5OS — CID 155159974

IUPAC2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C63H37N5OS/c1-4-16-38(17-5-1)61-64-62(39-18-6-2-7-19-39)66-63(65-61)46-30-32-53(60-59(46)45-24-11-14-26-56(45)69-60)68-52-31-28-40(41-29-33-58-50(35-41)44-23-12-15-27-57(44)70-58)34-47(52)49-37-54-48(36-55(49)68)43-22-10-13-25-51(43)67(54)42-20-8-3-9-21-42/h1-37H
InChIKeyHADIEEZATFQVJY-UHFFFAOYSA-N
MW912.09 g/mol
LogP17.00
Rot. Bonds6

About 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole

2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole (PubChem CID 155159974) has the molecular formula C63H37N5OS and a molecular weight of 912.09 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
PubChem CID155159974
Molecular FormulaC63H37N5OS
Molecular Weight912.09 g/mol
Exact Mass911.27
IUPAC Name2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C63H37N5OS/c1-4-16-38(17-5-1)61-64-62(39-18-6-2-7-19-39)66-63(65-61)46-30-32-53(60-59(46)45-24-11-14-26-56(45)69-60)68-52-31-28-40(41-29-33-58-50(35-41)44-23-12-15-27-57(44)70-58)34-47(52)49-37-54-48(36-55(49)68)43-22-10-13-25-51(43)67(54)42-20-8-3-9-21-42/h1-37H
InChIKeyHADIEEZATFQVJY-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

Analyze 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

3-[1-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 118507596
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 164849997
3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768786
4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155160105
2-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 155160012
5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155158629
11-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 163809594
3-dibenzofuran-2-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,7-diphenylcarbazole;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-phenylcarbazole
CID 159615969
3-(9-phenylcarbazol-3-yl)-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 162489014
11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 147613320
3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158954926

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole?
The IUPAC name of 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole (CID 155159974) is 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole?
The InChIKey is HADIEEZATFQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5OS/c1-4-16-38(17-5-1)61-64-62(39-18-6-2-7-19-39)66-63(65-61)46-30-32-53(60-59(46)45-24-11-14-26-56(45)69-60)68-52-31-28-40(41-29-33-58-50(35-41)44-23-12-15-27-57(44)70-58)34-47(52)49-37-54-48(36-55(49)68)43-22-10-13-25-51(43)67(54)42-20-8-3-9-21-42/h1-37H.
What are the key properties of 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole?
2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]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 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 155159974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).