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

C73H44N6S — CID 155430597

IUPAC5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6sc7ccccc7c56)nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)c32)cc1
InChIInChI=1S/C73H44N6S/c1-3-22-47(23-4-1)78-63-36-14-9-26-50(63)54-31-17-33-58(69(54)78)72-74-71(75-73(76-72)59-34-18-32-55-51-27-10-15-37-64(51)79(70(55)59)48-24-5-2-6-25-48)56-41-40-49(44-60(56)53-30-19-39-67-68(53)57-29-12-16-38-66(57)80-67)77-62-35-13-11-28-52(62)61-42-45-20-7-8-21-46(45)43-65(61)77/h1-44H
InChIKeyWFXPVPCBOKMWPO-UHFFFAOYSA-N
MW1037.26 g/mol
LogP19.35
Rot. Bonds7

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

5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole (PubChem CID 155430597) 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-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
PubChem CID155430597
Molecular FormulaC73H44N6S
Molecular Weight1037.26 g/mol
Exact Mass1036.33
IUPAC Name5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6sc7ccccc7c56)nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)c32)cc1
InChIInChI=1S/C73H44N6S/c1-3-22-47(23-4-1)78-63-36-14-9-26-50(63)54-31-17-33-58(69(54)78)72-74-71(75-73(76-72)59-34-18-32-55-51-27-10-15-37-64(51)79(70(55)59)48-24-5-2-6-25-48)56-41-40-49(44-60(56)53-30-19-39-67-68(53)57-29-12-16-38-66(57)80-67)77-62-35-13-11-28-52(62)61-42-45-20-7-8-21-46(45)43-65(61)77/h1-44H
InChIKeyWFXPVPCBOKMWPO-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-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430251
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-[3-dibenzothiophen-1-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430603
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430250
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
5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430956
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-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430891
5-[3-dibenzofuran-4-yl-4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430958
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
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
5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
CID 162703781

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole (CID 155430597) is 5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6sc7ccccc7c56)nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)c32)cc1.
What is the InChIKey of 5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole?
The InChIKey is WFXPVPCBOKMWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N6S/c1-3-22-47(23-4-1)78-63-36-14-9-26-50(63)54-31-17-33-58(69(54)78)72-74-71(75-73(76-72)59-34-18-32-55-51-27-10-15-37-64(51)79(70(55)59)48-24-5-2-6-25-48)56-41-40-49(44-60(56)53-30-19-39-67-68(53)57-29-12-16-38-66(57)80-67)77-62-35-13-11-28-52(62)61-42-45-20-7-8-21-46(45)43-65(61)77/h1-44H.
What are the key properties of 5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole?
5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-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-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155430597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).