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

C61H35N5S2 — CID 155040156

IUPAC5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c6c5sc5ccccc56)nc(-c5cccc6sc7ccccc7c56)n4)cccc32)cc1
InChIInChI=1S/C61H35N5S2/c1-2-18-38(19-3-1)65-48-27-11-7-21-40(48)55-43(24-14-28-49(55)65)59-62-60(44-25-15-31-54-56(44)41-22-8-12-29-52(41)67-54)64-61(63-59)45-32-33-50(57-42-23-9-13-30-53(42)68-58(45)57)66-47-26-10-6-20-39(47)46-34-36-16-4-5-17-37(36)35-51(46)66/h1-35H
InChIKeyJBAZJSATOQIDBU-UHFFFAOYSA-N
MW902.12 g/mol
LogP16.96
Rot. Bonds5

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

5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole (PubChem CID 155040156) has the molecular formula C61H35N5S2 and a molecular weight of 902.12 g/mol. Its IUPAC name is 5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
PubChem CID155040156
Molecular FormulaC61H35N5S2
Molecular Weight902.12 g/mol
Exact Mass901.23
IUPAC Name5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c6c5sc5ccccc56)nc(-c5cccc6sc7ccccc7c56)n4)cccc32)cc1
InChIInChI=1S/C61H35N5S2/c1-2-18-38(19-3-1)65-48-27-11-7-21-40(48)55-43(24-14-28-49(55)65)59-62-60(44-25-15-31-54-56(44)41-22-8-12-29-52(41)67-54)64-61(63-59)45-32-33-50(57-42-23-9-13-30-53(42)68-58(45)57)66-47-26-10-6-20-39(47)46-34-36-16-4-5-17-37(36)35-51(46)66/h1-35H
InChIKeyJBAZJSATOQIDBU-UHFFFAOYSA-N
XLogP16.96
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.12
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
CID 163929950
5-[1-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039621
12-[1-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155039262
5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
CID 155430722
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
CID 155160087
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430597
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146621162
12-[3-dibenzothiophen-1-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155430828
5-(8-dibenzofuran-1-ylquinoxalin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-1-ylquinoxalin-5-yl)benzo[b]carbazole;5-[8-(9-phenylcarbazol-4-yl)quinoxalin-5-yl]benzo[b]carbazole
CID 161376811
4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273676

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole?
The IUPAC name of 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) is 5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c6c5sc5ccccc56)nc(-c5cccc6sc7ccccc7c56)n4)cccc32)cc1.
What is the InChIKey of 5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole?
The InChIKey is JBAZJSATOQIDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N5S2/c1-2-18-38(19-3-1)65-48-27-11-7-21-40(48)55-43(24-14-28-49(55)65)59-62-60(44-25-15-31-54-56(44)41-22-8-12-29-52(41)67-54)64-61(63-59)45-32-33-50(57-42-23-9-13-30-53(42)68-58(45)57)66-47-26-10-6-20-39(47)46-34-36-16-4-5-17-37(36)35-51(46)66/h1-35H.
What are the key properties of 5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole?
5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole has a molecular weight of 902.12 g/mol, XLogP of 16.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155040156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).