7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline

C59H37N5 — CID 118582433

IUPAC7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline
SMILESc1cc(-c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)cc(-c3nc(-c4ccc5ccncc5c4)nc(-c4ccc5ccncc5c4)n3)c2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C59H37N5/c1-3-9-42-27-48(19-15-38(42)7-1)44-11-5-13-46(29-44)52-33-53(47-14-6-12-45(30-47)49-20-16-39-8-2-4-10-43(39)28-49)35-54(34-52)59-63-57(50-21-17-40-23-25-60-36-55(40)31-50)62-58(64-59)51-22-18-41-24-26-61-37-56(41)32-51/h1-37H
InChIKeyKUVFHFBEAZFNBC-UHFFFAOYSA-N
MW815.98 g/mol
LogP14.94
Rot. Bonds7

About 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline

7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline (PubChem CID 118582433) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline.

Molecular Properties

Compound Name7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline
PubChem CID118582433
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline
SMILESc1cc(-c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)cc(-c3nc(-c4ccc5ccncc5c4)nc(-c4ccc5ccncc5c4)n3)c2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C59H37N5/c1-3-9-42-27-48(19-15-38(42)7-1)44-11-5-13-46(29-44)52-33-53(47-14-6-12-45(30-47)49-20-16-39-8-2-4-10-43(39)28-49)35-54(34-52)59-63-57(50-21-17-40-23-25-60-36-55(40)31-50)62-58(64-59)51-22-18-41-24-26-61-37-56(41)32-51/h1-37H
InChIKeyKUVFHFBEAZFNBC-UHFFFAOYSA-N
XLogP14.94
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline with MolForge

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Related Compounds

2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
6-naphthalen-2-ylisoquinoline
CID 59724414
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
7-[3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]phenyl]isoquinoline
CID 166974763
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146587201
7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline
CID 154599160

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline?
The IUPAC name of 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline (CID 118582433) is 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline.
What is the SMILES notation for 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline?
The canonical SMILES for 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline is c1cc(-c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)cc(-c3nc(-c4ccc5ccncc5c4)nc(-c4ccc5ccncc5c4)n3)c2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline?
The InChIKey is KUVFHFBEAZFNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-3-9-42-27-48(19-15-38(42)7-1)44-11-5-13-46(29-44)52-33-53(47-14-6-12-45(30-47)49-20-16-39-8-2-4-10-43(39)28-49)35-54(34-52)59-63-57(50-21-17-40-23-25-60-36-55(40)31-50)62-58(64-59)51-22-18-41-24-26-61-37-56(41)32-51/h1-37H.
What are the key properties of 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline?
7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline has a molecular weight of 815.98 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline is sourced from PubChem (CID 118582433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).