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

C57H34N4S — CID 155474859

IUPAC5-[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
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5sc6ccc7ccccc7c6c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C57H34N4S/c1-2-15-37(16-3-1)55-58-56(41-26-25-35-13-4-5-17-38(35)31-41)60-57(59-55)42-27-29-49(61-48-23-11-10-21-44(48)46-32-39-18-6-7-19-40(39)34-50(46)61)47(33-42)45-22-12-24-51-54(45)53-43-20-9-8-14-36(43)28-30-52(53)62-51/h1-34H
InChIKeyQRVNZKXGDRYIDS-UHFFFAOYSA-N
MW806.99 g/mol
LogP15.46
Rot. Bonds5

About 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

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 (PubChem CID 155474859) has the molecular formula C57H34N4S and a molecular weight of 806.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID155474859
Molecular FormulaC57H34N4S
Molecular Weight806.99 g/mol
Exact Mass806.25
IUPAC Name5-[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
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5sc6ccc7ccccc7c6c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C57H34N4S/c1-2-15-37(16-3-1)55-58-56(41-26-25-35-13-4-5-17-38(35)31-41)60-57(59-55)42-27-29-49(61-48-23-11-10-21-44(48)46-32-39-18-6-7-19-40(39)34-50(46)61)47(33-42)45-22-12-24-51-54(45)53-43-20-9-8-14-36(43)28-30-52(53)62-51/h1-34H
InChIKeyQRVNZKXGDRYIDS-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-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole with MolForge

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Related Compounds

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-[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-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
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155474965
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-[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-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474637
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5sc6ccc7ccccc7c6c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is QRVNZKXGDRYIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4S/c1-2-15-37(16-3-1)55-58-56(41-26-25-35-13-4-5-17-38(35)31-41)60-57(59-55)42-27-29-49(61-48-23-11-10-21-44(48)46-32-39-18-6-7-19-40(39)34-50(46)61)47(33-42)45-22-12-24-51-54(45)53-43-20-9-8-14-36(43)28-30-52(53)62-51/h1-34H.
What are the key properties of 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?
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 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-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155474859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).