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

C57H35N5S — CID 155160087

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3sc5ccccc5c23)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C57H35N5S/c1-5-17-36(18-6-1)39-29-31-48-44(33-39)46-35-50-45(41-25-13-15-27-47(41)61(50)40-23-11-4-12-24-40)34-51(46)62(48)49-32-30-43(54-53(49)42-26-14-16-28-52(42)63-54)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyWDWIHZFGPCIEOG-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

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

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole (PubChem CID 155160087) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
PubChem CID155160087
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3sc5ccccc5c23)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C57H35N5S/c1-5-17-36(18-6-1)39-29-31-48-44(33-39)46-35-50-45(41-25-13-15-27-47(41)61(50)40-23-11-4-12-24-40)34-51(46)62(48)49-32-30-43(54-53(49)42-26-14-16-28-52(42)63-54)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyWDWIHZFGPCIEOG-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

3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301
2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole
CID 155158863
5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
CID 163929950
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 167378774
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602240
3-(9-phenylcarbazol-2-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490880
2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 162488955
2-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153459818
5-[1-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039621
5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
CID 155040156
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232535
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole (CID 155160087) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3sc5ccccc5c23)c2ccccc2n4-c2ccccc2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is WDWIHZFGPCIEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-5-17-36(18-6-1)39-29-31-48-44(33-39)46-35-50-45(41-25-13-15-27-47(41)61(50)40-23-11-4-12-24-40)34-51(46)62(48)49-32-30-43(54-53(49)42-26-14-16-28-52(42)63-54)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]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 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 155160087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).