N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine

C61H39FN4 — CID 90336215

IUPACN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
SMILESFc1ccc(N(c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C61H39FN4/c62-46-32-36-48(37-33-46)66(61-64-59(43-17-3-1-4-18-43)63-60(65-61)44-19-5-2-6-20-44)47-34-29-40(30-35-47)45-31-38-55-56(39-45)58(52-28-14-22-42-16-8-10-24-50(42)52)54-26-12-11-25-53(54)57(55)51-27-13-21-41-15-7-9-23-49(41)51/h1-39H
InChIKeyKUDZXLAKAZKBLJ-UHFFFAOYSA-N
MW847.01 g/mol
LogP16.43
Rot. Bonds8

About N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine

N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine (PubChem CID 90336215) has the molecular formula C61H39FN4 and a molecular weight of 847.01 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
PubChem CID90336215
Molecular FormulaC61H39FN4
Molecular Weight847.01 g/mol
Exact Mass846.32
IUPAC NameN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
SMILESFc1ccc(N(c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C61H39FN4/c62-46-32-36-48(37-33-46)66(61-64-59(43-17-3-1-4-18-43)63-60(65-61)44-19-5-2-6-20-44)47-34-29-40(30-35-47)45-31-38-55-56(39-45)58(52-28-14-22-42-16-8-10-24-50(42)52)54-26-12-11-25-53(54)57(55)51-27-13-21-41-15-7-9-23-49(41)51/h1-39H
InChIKeyKUDZXLAKAZKBLJ-UHFFFAOYSA-N
XLogP16.43
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.01
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine (CID 90336215) is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine is Fc1ccc(N(c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is KUDZXLAKAZKBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39FN4/c62-46-32-36-48(37-33-46)66(61-64-59(43-17-3-1-4-18-43)63-60(65-61)44-19-5-2-6-20-44)47-34-29-40(30-35-47)45-31-38-55-56(39-45)58(52-28-14-22-42-16-8-10-24-50(42)52)54-26-12-11-25-53(54)57(55)51-27-13-21-41-15-7-9-23-49(41)51/h1-39H.
What are the key properties of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine?
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 847.01 g/mol, XLogP of 16.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 90336215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).