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

C65H41FN4 — CID 90336243

IUPACN-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
SMILESFc1ccc(N(c2ccc3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc3c2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C65H41FN4/c66-50-33-36-51(37-34-50)70(65-68-63(44-17-3-1-4-18-44)67-64(69-65)45-19-5-2-6-20-45)52-35-31-47-39-46(29-30-48(47)40-52)49-32-38-59-60(41-49)62(56-28-14-22-43-16-8-10-24-54(43)56)58-26-12-11-25-57(58)61(59)55-27-13-21-42-15-7-9-23-53(42)55/h1-41H
InChIKeyIJZYMZKDSDEBKN-UHFFFAOYSA-N
MW897.07 g/mol
LogP17.58
Rot. Bonds8

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

N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine (PubChem CID 90336243) has the molecular formula C65H41FN4 and a molecular weight of 897.07 g/mol. Its IUPAC name is N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
PubChem CID90336243
Molecular FormulaC65H41FN4
Molecular Weight897.07 g/mol
Exact Mass896.33
IUPAC NameN-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
SMILESFc1ccc(N(c2ccc3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc3c2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C65H41FN4/c66-50-33-36-51(37-34-50)70(65-68-63(44-17-3-1-4-18-44)67-64(69-65)45-19-5-2-6-20-45)52-35-31-47-39-46(29-30-48(47)40-52)49-32-38-59-60(41-49)62(56-28-14-22-43-16-8-10-24-54(43)56)58-26-12-11-25-57(58)61(59)55-27-13-21-42-15-7-9-23-53(42)55/h1-41H
InChIKeyIJZYMZKDSDEBKN-UHFFFAOYSA-N
XLogP17.58
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.07
LogP ≤ 517.58
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-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine (CID 90336243) is N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine is Fc1ccc(N(c2ccc3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc3c2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is IJZYMZKDSDEBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41FN4/c66-50-33-36-51(37-34-50)70(65-68-63(44-17-3-1-4-18-44)67-64(69-65)45-19-5-2-6-20-45)52-35-31-47-39-46(29-30-48(47)40-52)49-32-38-59-60(41-49)62(56-28-14-22-43-16-8-10-24-54(43)56)58-26-12-11-25-57(58)61(59)55-27-13-21-42-15-7-9-23-53(42)55/h1-41H.
What are the key properties of N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine?
N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 897.07 g/mol, XLogP of 17.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 90336243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).