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

C65H40N4S — CID 155430752

IUPAC5-[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
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6sc7cc8ccccc8cc7c56)n4)cc3)cc2)cc1
InChIInChI=1S/C65H40N4S/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)44-30-32-46(33-31-44)64-66-63(45-16-5-2-6-17-45)67-65(68-64)54-35-34-51(69-58-24-12-11-22-52(58)56-36-47-18-7-9-20-49(47)38-59(56)69)40-55(54)53-23-13-25-60-62(53)57-37-48-19-8-10-21-50(48)39-61(57)70-60/h1-40H
InChIKeyTXLNTOLOYWMFSX-UHFFFAOYSA-N
MW909.13 g/mol
LogP17.65
Rot. Bonds7

About 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

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 (PubChem CID 155430752) has the molecular formula C65H40N4S and a molecular weight of 909.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID155430752
Molecular FormulaC65H40N4S
Molecular Weight909.13 g/mol
Exact Mass908.30
IUPAC Name5-[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
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6sc7cc8ccccc8cc7c56)n4)cc3)cc2)cc1
InChIInChI=1S/C65H40N4S/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)44-30-32-46(33-31-44)64-66-63(45-16-5-2-6-17-45)67-65(68-64)54-35-34-51(69-58-24-12-11-22-52(58)56-36-47-18-7-9-20-49(47)38-59(56)69)40-55(54)53-23-13-25-60-62(53)57-37-48-19-8-10-21-50(48)39-61(57)70-60/h1-40H
InChIKeyTXLNTOLOYWMFSX-UHFFFAOYSA-N
XLogP17.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.13
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430250
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(2-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430251
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-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 170412427
5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
CID 162703781
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-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431004
1-[4-(3,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153459585
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-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430597
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431025

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6sc7cc8ccccc8cc7c56)n4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is TXLNTOLOYWMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N4S/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)44-30-32-46(33-31-44)64-66-63(45-16-5-2-6-17-45)67-65(68-64)54-35-34-51(69-58-24-12-11-22-52(58)56-36-47-18-7-9-20-49(47)38-59(56)69)40-55(54)53-23-13-25-60-62(53)57-37-48-19-8-10-21-50(48)39-61(57)70-60/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 909.13 g/mol, XLogP of 17.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155430752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).