2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine

C124H74N6S2 — CID 139441641

IUPAC2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)c4ccccc34)nc(-c3cccc4c3sc3ccc(-c5ccc6c(-c7cccc8ccccc78)c7ccccc7c(-c7ccc(-c8nc(-c9ccccc9-c9ccccc9)nc(-c9cccc%10c9sc9ccccc9%10)n8)c8ccccc78)c6c5)cc34)n2)cc1
InChIInChI=1S/C124H74N6S2/c1-4-33-75(34-5-1)81-42-12-19-50-90(81)113-92-51-20-22-53-94(92)115(95-54-23-21-52-93(95)113)98-68-70-105(87-47-17-15-45-85(87)98)121-126-120(104-58-27-14-44-84(104)77-37-8-3-9-38-77)128-124(130-121)108-63-32-61-102-109-73-80(66-72-112(109)132-118(102)108)79-65-67-100-110(74-79)116(97-56-25-24-55-96(97)114(100)91-59-30-40-78-39-10-11-41-82(78)91)99-69-71-106(88-48-18-16-46-86(88)99)122-125-119(103-57-26-13-43-83(103)76-35-6-2-7-36-76)127-123(129-122)107-62-31-60-101-89-49-28-29-64-111(89)131-117(101)107/h1-74H
InChIKeyNVZSUWOXKMPCPS-UHFFFAOYSA-N
MW1712.13 g/mol
LogP34.20
Rot. Bonds14

About 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 139441641) has the molecular formula C124H74N6S2 and a molecular weight of 1712.13 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID139441641
Molecular FormulaC124H74N6S2
Molecular Weight1712.13 g/mol
Exact Mass1710.54
IUPAC Name2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)c4ccccc34)nc(-c3cccc4c3sc3ccc(-c5ccc6c(-c7cccc8ccccc78)c7ccccc7c(-c7ccc(-c8nc(-c9ccccc9-c9ccccc9)nc(-c9cccc%10c9sc9ccccc9%10)n8)c8ccccc78)c6c5)cc34)n2)cc1
InChIInChI=1S/C124H74N6S2/c1-4-33-75(34-5-1)81-42-12-19-50-90(81)113-92-51-20-22-53-94(92)115(95-54-23-21-52-93(95)113)98-68-70-105(87-47-17-15-45-85(87)98)121-126-120(104-58-27-14-44-84(104)77-37-8-3-9-38-77)128-124(130-121)108-63-32-61-102-109-73-80(66-72-112(109)132-118(102)108)79-65-67-100-110(74-79)116(97-56-25-24-55-96(97)114(100)91-59-30-40-78-39-10-11-41-82(78)91)99-69-71-106(88-48-18-16-46-86(88)99)122-125-119(103-57-26-13-43-83(103)76-35-6-2-7-36-76)127-123(129-122)107-62-31-60-101-89-49-28-29-64-111(89)131-117(101)107/h1-74H
InChIKeyNVZSUWOXKMPCPS-UHFFFAOYSA-N
XLogP34.20
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.13
LogP ≤ 534.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 161120193
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139441835
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349309
2,4-di(dibenzothiophen-4-yl)-6-[2-(2-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 167349176
2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481329
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442371
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442293
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzothiophen-4-yl-4-(6-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587486
2-dibenzothiophen-4-yl-4-[4-[4-[4-[3-[4-dibenzothiophen-4-yl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 139442123

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine (CID 139441641) is 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)c4ccccc34)nc(-c3cccc4c3sc3ccc(-c5ccc6c(-c7cccc8ccccc78)c7ccccc7c(-c7ccc(-c8nc(-c9ccccc9-c9ccccc9)nc(-c9cccc%10c9sc9ccccc9%10)n8)c8ccccc78)c6c5)cc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is NVZSUWOXKMPCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H74N6S2/c1-4-33-75(34-5-1)81-42-12-19-50-90(81)113-92-51-20-22-53-94(92)115(95-54-23-21-52-93(95)113)98-68-70-105(87-47-17-15-45-85(87)98)121-126-120(104-58-27-14-44-84(104)77-37-8-3-9-38-77)128-124(130-121)108-63-32-61-102-109-73-80(66-72-112(109)132-118(102)108)79-65-67-100-110(74-79)116(97-56-25-24-55-96(97)114(100)91-59-30-40-78-39-10-11-41-82(78)91)99-69-71-106(88-48-18-16-46-86(88)99)122-125-119(103-57-26-13-43-83(103)76-35-6-2-7-36-76)127-123(129-122)107-62-31-60-101-89-49-28-29-64-111(89)131-117(101)107/h1-74H.
What are the key properties of 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 1712.13 g/mol, XLogP of 34.20, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-[4-[10-naphthalen-1-yl-2-[6-[4-(2-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]anthracen-9-yl]naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139441641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).