2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C58H36N6 — CID 20652054

IUPAC2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C58H36N6/c1-5-13-45-33-49(29-21-37(45)9-1)55-59-53(60-56(63-55)50-30-22-38-10-2-6-14-46(38)34-50)43-25-17-41(18-26-43)42-19-27-44(28-20-42)54-61-57(51-31-23-39-11-3-7-15-47(39)35-51)64-58(62-54)52-32-24-40-12-4-8-16-48(40)36-52/h1-36H
InChIKeyVRNZMJPDGLYPAS-UHFFFAOYSA-N
MW816.97 g/mol
LogP14.34
Rot. Bonds7

About 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 20652054) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID20652054
Molecular FormulaC58H36N6
Molecular Weight816.97 g/mol
Exact Mass816.30
IUPAC Name2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C58H36N6/c1-5-13-45-33-49(29-21-37(45)9-1)55-59-53(60-56(63-55)50-30-22-38-10-2-6-14-46(38)34-50)43-25-17-41(18-26-43)42-19-27-44(28-20-42)54-61-57(51-31-23-39-11-3-7-15-47(39)35-51)64-58(62-54)52-32-24-40-12-4-8-16-48(40)36-52/h1-36H
InChIKeyVRNZMJPDGLYPAS-UHFFFAOYSA-N
XLogP14.34
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.97
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 20652054) is 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is VRNZMJPDGLYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c1-5-13-45-33-49(29-21-37(45)9-1)55-59-53(60-56(63-55)50-30-22-38-10-2-6-14-46(38)34-50)43-25-17-41(18-26-43)42-19-27-44(28-20-42)54-61-57(51-31-23-39-11-3-7-15-47(39)35-51)64-58(62-54)52-32-24-40-12-4-8-16-48(40)36-52/h1-36H.
What are the key properties of 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 816.97 g/mol, XLogP of 14.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 20652054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).