5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C59H36N4S — CID 155474735

IUPAC5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cc6ccccc6c6sc7ccccc7c56)c4)n3)c2)cc1
InChIInChI=1S/C59H36N4S/c1-3-16-37(17-4-1)39-23-15-24-43(32-39)58-60-57(38-18-5-2-6-19-38)61-59(62-58)44-30-31-52(63-51-28-13-11-26-46(51)48-33-40-20-7-8-21-41(40)36-53(48)63)49(35-44)50-34-42-22-9-10-25-45(42)56-55(50)47-27-12-14-29-54(47)64-56/h1-36H
InChIKeyWHYXVCGMLYWJJP-UHFFFAOYSA-N
MW833.03 g/mol
LogP15.98
Rot. Bonds6

About 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155474735) has the molecular formula C59H36N4S and a molecular weight of 833.03 g/mol. Its IUPAC name is 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155474735
Molecular FormulaC59H36N4S
Molecular Weight833.03 g/mol
Exact Mass832.27
IUPAC Name5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cc6ccccc6c6sc7ccccc7c56)c4)n3)c2)cc1
InChIInChI=1S/C59H36N4S/c1-3-16-37(17-4-1)39-23-15-24-43(32-39)58-60-57(38-18-5-2-6-19-38)61-59(62-58)44-30-31-52(63-51-28-13-11-26-46(51)48-33-40-20-7-8-21-41(40)36-53(48)63)49(35-44)50-34-42-22-9-10-25-45(42)56-55(50)47-27-12-14-29-54(47)64-56/h1-36H
InChIKeyWHYXVCGMLYWJJP-UHFFFAOYSA-N
XLogP15.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.03
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474737
5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475301
5-[2-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
5-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039195
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzothiophen-1-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 155474878
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzothiol-7-ylphenyl]benzo[b]carbazole
CID 155474842
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
CID 163796934
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621069
5-[5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621293

Frequently Asked Questions

What is the IUPAC name of 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155474735) is 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cc6ccccc6c6sc7ccccc7c56)c4)n3)c2)cc1.
What is the InChIKey of 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is WHYXVCGMLYWJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4S/c1-3-16-37(17-4-1)39-23-15-24-43(32-39)58-60-57(38-18-5-2-6-19-38)61-59(62-58)44-30-31-52(63-51-28-13-11-26-46(51)48-33-40-20-7-8-21-41(40)36-53(48)63)49(35-44)50-34-42-22-9-10-25-45(42)56-55(50)47-27-12-14-29-54(47)64-56/h1-36H.
What are the key properties of 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 833.03 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155474735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).