1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

C59H36N4S — CID 164736807

IUPAC1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3c5ccccc5ccc43)cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1
InChIInChI=1S/C59H36N4S/c1-3-15-37(16-4-1)41-33-42(40-30-31-48-50-32-29-39-18-8-10-23-46(39)56(50)64-54(48)36-40)35-43(34-41)57-60-58(51-26-13-19-38-17-7-9-22-45(38)51)62-59(61-57)52-27-14-25-49-47-24-11-12-28-53(47)63(55(49)52)44-20-5-2-6-21-44/h1-36H
InChIKeyGIBVBAXERSWLDN-UHFFFAOYSA-N
MW833.03 g/mol
LogP15.98
Rot. Bonds6

About 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 164736807) has the molecular formula C59H36N4S and a molecular weight of 833.03 g/mol. Its IUPAC name is 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID164736807
Molecular FormulaC59H36N4S
Molecular Weight833.03 g/mol
Exact Mass832.27
IUPAC Name1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3c5ccccc5ccc43)cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1
InChIInChI=1S/C59H36N4S/c1-3-15-37(16-4-1)41-33-42(40-30-31-48-50-32-29-39-18-8-10-23-46(39)56(50)64-54(48)36-40)35-43(34-41)57-60-58(51-26-13-19-38-17-7-9-22-45(38)51)62-59(61-57)52-27-14-25-49-47-24-11-12-28-53(47)63(55(49)52)44-20-5-2-6-21-44/h1-36H
InChIKeyGIBVBAXERSWLDN-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

9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 146616859
1-[4-(4-dibenzofuran-2-ylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;1-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165030256
9-(4-dibenzothiophen-3-ylphenyl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171437952
12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 163934459
2-[4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445636
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 155241041
12-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946566
2,4-bis(3,5-diphenylphenyl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 165107062
1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170132368
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole
CID 170412166
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylphenyl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 147668438

Frequently Asked Questions

What is the IUPAC name of 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 164736807) is 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c(c3)sc3c5ccccc5ccc43)cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1.
What is the InChIKey of 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is GIBVBAXERSWLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4S/c1-3-15-37(16-4-1)41-33-42(40-30-31-48-50-32-29-39-18-8-10-23-46(39)56(50)64-54(48)36-40)35-43(34-41)57-60-58(51-26-13-19-38-17-7-9-22-45(38)51)62-59(61-57)52-27-14-25-49-47-24-11-12-28-53(47)63(55(49)52)44-20-5-2-6-21-44/h1-36H.
What are the key properties of 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole 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 1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 164736807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).