4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline

C136H82N12 — CID 130271182

IUPAC4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc(-c3ccc(-c4cnc(-c5cccc(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc(-c8ccnc(-c9cccc(-c%10nc(-c%11ccc(-c%12ccc%13c%14ccccc%14c%14ccccc%14c%13c%12)cc%11)nc(-c%11cccc(-c%12cccnc%12)c%11)n%10)c9)c8)c7)n6)c5)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C136H82N12/c1-2-23-87(24-3-1)128-140-129(88-56-48-83(49-57-88)94-64-67-118-111-40-7-4-34-105(111)108-37-10-13-43-114(108)122(118)77-94)142-130(141-128)91-62-54-86(55-63-91)125-82-139-127(121-47-17-16-46-117(121)125)99-28-21-32-103(76-99)136-146-132(90-60-52-85(53-61-90)96-66-69-120-113-42-9-6-36-107(113)110-39-12-15-45-116(110)124(120)79-96)143-133(148-136)100-29-18-25-92(73-100)97-70-72-138-126(80-97)98-27-20-31-102(75-98)135-145-131(144-134(147-135)101-30-19-26-93(74-101)104-33-22-71-137-81-104)89-58-50-84(51-59-89)95-65-68-119-112-41-8-5-35-106(112)109-38-11-14-44-115(109)123(119)78-95/h1-82H
InChIKeyIXGWNWUYWXZKSL-UHFFFAOYSA-N
MW1884.24 g/mol
LogP34.30
Rot. Bonds17

About 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline

4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline (PubChem CID 130271182) has the molecular formula C136H82N12 and a molecular weight of 1884.24 g/mol. Its IUPAC name is 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline.

Molecular Properties

Compound Name4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
PubChem CID130271182
Molecular FormulaC136H82N12
Molecular Weight1884.24 g/mol
Exact Mass1882.68
IUPAC Name4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc(-c3ccc(-c4cnc(-c5cccc(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc(-c8ccnc(-c9cccc(-c%10nc(-c%11ccc(-c%12ccc%13c%14ccccc%14c%14ccccc%14c%13c%12)cc%11)nc(-c%11cccc(-c%12cccnc%12)c%11)n%10)c9)c8)c7)n6)c5)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C136H82N12/c1-2-23-87(24-3-1)128-140-129(88-56-48-83(49-57-88)94-64-67-118-111-40-7-4-34-105(111)108-37-10-13-43-114(108)122(118)77-94)142-130(141-128)91-62-54-86(55-63-91)125-82-139-127(121-47-17-16-46-117(121)125)99-28-21-32-103(76-99)136-146-132(90-60-52-85(53-61-90)96-66-69-120-113-42-9-6-36-107(113)110-39-12-15-45-116(110)124(120)79-96)143-133(148-136)100-29-18-25-92(73-100)97-70-72-138-126(80-97)98-27-20-31-102(75-98)135-145-131(144-134(147-135)101-30-19-26-93(74-101)104-33-22-71-137-81-104)89-58-50-84(51-59-89)95-65-68-119-112-41-8-5-35-106(112)109-38-11-14-44-115(109)123(119)78-95/h1-82H
InChIKeyIXGWNWUYWXZKSL-UHFFFAOYSA-N
XLogP34.30
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001884.24
LogP ≤ 534.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline 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

6-[4-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819198
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
CID 159367402
4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
CID 121477401
2-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130268432
4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 121477553
2,6-diphenyl-4-triphenylen-2-ylpyridine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;2,4-diphenyl-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine;2-phenyl-4-triphenylen-2-ylpyrimidine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine;2-pyridin-4-yl-4-triphenylen-2-ylpyrimidine
CID 158935180
2,4-diphenyl-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;3-[3-pyridin-3-yl-5-[2-(3-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(3-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 160706357
4,6-diphenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,6-dipyridin-3-yl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 157417674
2,6-diphenyl-4-(2-triphenylen-2-ylphenyl)pyridine;4,6-diphenyl-2-(2-triphenylen-2-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-triphenylen-2-ylphenyl)-1,3,5-triazine;2,4-dipyridin-4-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;3-[3-pyridin-3-yl-5-(2-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-(2-triphenylen-2-ylphenyl)phenyl]pyridine
CID 161401394
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
CID 165168510
6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine
CID 176819163
1-methyl-4-phenylbenzene;2-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)-4-(3-pyridin-3-ylphenyl)pyrimidine;4-[3-[6-(4-phenylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159251404

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline?
The IUPAC name of 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline (CID 130271182) is 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline.
What is the SMILES notation for 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline?
The canonical SMILES for 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline is c1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc(-c3ccc(-c4cnc(-c5cccc(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc(-c8ccnc(-c9cccc(-c%10nc(-c%11ccc(-c%12ccc%13c%14ccccc%14c%14ccccc%14c%13c%12)cc%11)nc(-c%11cccc(-c%12cccnc%12)c%11)n%10)c9)c8)c7)n6)c5)c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline?
The InChIKey is IXGWNWUYWXZKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H82N12/c1-2-23-87(24-3-1)128-140-129(88-56-48-83(49-57-88)94-64-67-118-111-40-7-4-34-105(111)108-37-10-13-43-114(108)122(118)77-94)142-130(141-128)91-62-54-86(55-63-91)125-82-139-127(121-47-17-16-46-117(121)125)99-28-21-32-103(76-99)136-146-132(90-60-52-85(53-61-90)96-66-69-120-113-42-9-6-36-107(113)110-39-12-15-45-116(110)124(120)79-96)143-133(148-136)100-29-18-25-92(73-100)97-70-72-138-126(80-97)98-27-20-31-102(75-98)135-145-131(144-134(147-135)101-30-19-26-93(74-101)104-33-22-71-137-81-104)89-58-50-84(51-59-89)95-65-68-119-112-41-8-5-35-106(112)109-38-11-14-44-115(109)123(119)78-95/h1-82H.
What are the key properties of 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline?
4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline has a molecular weight of 1884.24 g/mol, XLogP of 34.30, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-[3-[4-[3-[2-[3-[4-(3-pyridin-3-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]phenyl]-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline is sourced from PubChem (CID 130271182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).