10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine

C55H34F2N4 — CID 167285639

IUPAC10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4c3-c3cccc5cccc-4c35)n2)cc1
InChIInChI=1S/C55H34F2N4/c56-42-25-17-40(18-26-42)53-58-54(41-19-27-43(57)28-20-41)60-55(59-53)48-33-34-49(52-47-16-8-14-39-13-7-15-46(50(39)47)51(48)52)61(44-29-21-37(22-30-44)35-9-3-1-4-10-35)45-31-23-38(24-32-45)36-11-5-2-6-12-36/h1-34H
InChIKeyRSBQJMDURVWKEQ-UHFFFAOYSA-N
MW788.90 g/mol
LogP14.76
Rot. Bonds8

About 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine

10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine (PubChem CID 167285639) has the molecular formula C55H34F2N4 and a molecular weight of 788.90 g/mol. Its IUPAC name is 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine.

Molecular Properties

Compound Name10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine
PubChem CID167285639
Molecular FormulaC55H34F2N4
Molecular Weight788.90 g/mol
Exact Mass788.28
IUPAC Name10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4c3-c3cccc5cccc-4c35)n2)cc1
InChIInChI=1S/C55H34F2N4/c56-42-25-17-40(18-26-42)53-58-54(41-19-27-43(57)28-20-41)60-55(59-53)48-33-34-49(52-47-16-8-14-39-13-7-15-46(50(39)47)51(48)52)61(44-29-21-37(22-30-44)35-9-3-1-4-10-35)45-31-23-38(24-32-45)36-11-5-2-6-12-36/h1-34H
InChIKeyRSBQJMDURVWKEQ-UHFFFAOYSA-N
XLogP14.76
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.90
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine?
The IUPAC name of 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine (CID 167285639) is 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine.
What is the SMILES notation for 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine?
The canonical SMILES for 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4c3-c3cccc5cccc-4c35)n2)cc1.
What is the InChIKey of 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine?
The InChIKey is RSBQJMDURVWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34F2N4/c56-42-25-17-40(18-26-42)53-58-54(41-19-27-43(57)28-20-41)60-55(59-53)48-33-34-49(52-47-16-8-14-39-13-7-15-46(50(39)47)51(48)52)61(44-29-21-37(22-30-44)35-9-3-1-4-10-35)45-31-23-38(24-32-45)36-11-5-2-6-12-36/h1-34H.
What are the key properties of 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine?
10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine has a molecular weight of 788.90 g/mol, XLogP of 14.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)fluoranthen-7-amine is sourced from PubChem (CID 167285639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).