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

C57H34N4S — CID 155474842

IUPAC5-[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
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5sc6c7ccccc7ccc6c45)c3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C57H34N4S/c1-2-16-37(17-3-1)55-58-56(60-57(59-55)45-25-12-20-35-14-6-8-21-41(35)45)40-29-31-50(61-49-26-11-10-23-43(49)47-32-38-18-4-5-19-39(38)34-51(47)61)48(33-40)44-24-13-27-52-53(44)46-30-28-36-15-7-9-22-42(36)54(46)62-52/h1-34H
InChIKeyOMPWJBWYQIMLMA-UHFFFAOYSA-N
MW806.99 g/mol
LogP15.46
Rot. Bonds5

About 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

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 (PubChem CID 155474842) has the molecular formula C57H34N4S and a molecular weight of 806.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID155474842
Molecular FormulaC57H34N4S
Molecular Weight806.99 g/mol
Exact Mass806.25
IUPAC Name5-[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
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5sc6c7ccccc7ccc6c45)c3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C57H34N4S/c1-2-16-37(17-3-1)55-58-56(60-57(59-55)45-25-12-20-35-14-6-8-21-41(35)45)40-29-31-50(61-49-26-11-10-23-43(49)47-32-38-18-4-5-19-39(38)34-51(47)61)48(33-40)44-24-13-27-52-53(44)46-30-28-36-15-7-9-22-42(36)54(46)62-52/h1-34H
InChIKeyOMPWJBWYQIMLMA-UHFFFAOYSA-N
XLogP15.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.99
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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[2,3-b][1]benzothiol-1-ylphenyl]benzo[b]carbazole
CID 155474598
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474916
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474859
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
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-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
CID 155475217
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621069
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-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
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
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5sc6c7ccccc7ccc6c45)c3)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is OMPWJBWYQIMLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4S/c1-2-16-37(17-3-1)55-58-56(60-57(59-55)45-25-12-20-35-14-6-8-21-41(35)45)40-29-31-50(61-49-26-11-10-23-43(49)47-32-38-18-4-5-19-39(38)34-51(47)61)48(33-40)44-24-13-27-52-53(44)46-30-28-36-15-7-9-22-42(36)54(46)62-52/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 806.99 g/mol, XLogP of 15.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155474842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).