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

C73H44N6S — CID 155430722

IUPAC5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5ccc6c(c5)sc5ccccc56)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)n4)cccc32)cc1
InChIInChI=1S/C73H44N6S/c1-3-21-48(22-4-1)77-62-32-14-10-27-55(62)69-57(29-17-34-64(69)77)72-74-71(75-73(76-72)58-30-18-35-65-70(58)56-28-11-15-33-63(56)78(65)49-23-5-2-6-24-49)54-40-38-50(44-59(54)47-37-39-53-52-26-12-16-36-67(52)80-68(53)43-47)79-61-31-13-9-25-51(61)60-41-45-19-7-8-20-46(45)42-66(60)79/h1-44H
InChIKeyRWZYAOAOVFFUAA-UHFFFAOYSA-N
MW1037.26 g/mol
LogP19.35
Rot. Bonds7

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

5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole (PubChem CID 155430722) has the molecular formula C73H44N6S and a molecular weight of 1037.26 g/mol. Its IUPAC name is 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
PubChem CID155430722
Molecular FormulaC73H44N6S
Molecular Weight1037.26 g/mol
Exact Mass1036.33
IUPAC Name5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5ccc6c(c5)sc5ccccc56)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)n4)cccc32)cc1
InChIInChI=1S/C73H44N6S/c1-3-21-48(22-4-1)77-62-32-14-10-27-55(62)69-57(29-17-34-64(69)77)72-74-71(75-73(76-72)58-30-18-35-65-70(58)56-28-11-15-33-63(56)78(65)49-23-5-2-6-24-49)54-40-38-50(44-59(54)47-37-39-53-52-26-12-16-36-67(52)80-68(53)43-47)79-61-31-13-9-25-51(61)60-41-45-19-7-8-20-46(45)42-66(60)79/h1-44H
InChIKeyRWZYAOAOVFFUAA-UHFFFAOYSA-N
XLogP19.35
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.26
LogP ≤ 519.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
CID 155430720
4-[4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165107113
5-[3-dibenzothiophen-1-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430603
4-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165098762
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430250
5-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430251
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
12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-2-ylphenyl]-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 155430582
5-[3-naphtho[2,3-b][1]benzothiol-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430752
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-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621051

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole (CID 155430722) is 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5ccc6c(c5)sc5ccccc56)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)n4)cccc32)cc1.
What is the InChIKey of 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole?
The InChIKey is RWZYAOAOVFFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N6S/c1-3-21-48(22-4-1)77-62-32-14-10-27-55(62)69-57(29-17-34-64(69)77)72-74-71(75-73(76-72)58-30-18-35-65-70(58)56-28-11-15-33-63(56)78(65)49-23-5-2-6-24-49)54-40-38-50(44-59(54)47-37-39-53-52-26-12-16-36-67(52)80-68(53)43-47)79-61-31-13-9-25-51(61)60-41-45-19-7-8-20-46(45)42-66(60)79/h1-44H.
What are the key properties of 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole?
5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole has a molecular weight of 1037.26 g/mol, XLogP of 19.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155430722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).