N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine

C49H32N4O — CID 166867397

IUPACN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H32N4O/c1-4-16-35(17-5-1)47-50-48(36-18-6-2-7-19-36)52-49(51-47)42-31-37(32-45-46(42)41-24-12-13-26-44(41)54-45)33-27-29-39(30-28-33)53(38-21-8-3-9-22-38)43-25-14-20-34-15-10-11-23-40(34)43/h1-32H
InChIKeyQNINXDYHSQEHMX-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.06
Rot. Bonds7

About N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 166867397) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID166867397
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC NameN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H32N4O/c1-4-16-35(17-5-1)47-50-48(36-18-6-2-7-19-36)52-49(51-47)42-31-37(32-45-46(42)41-24-12-13-26-44(41)54-45)33-27-29-39(30-28-33)53(38-21-8-3-9-22-38)43-25-14-20-34-15-10-11-23-40(34)43/h1-32H
InChIKeyQNINXDYHSQEHMX-UHFFFAOYSA-N
XLogP13.06
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 170093258
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
N-dibenzofuran-4-yl-1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853627
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 156554104
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314684

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 166867397) is N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is QNINXDYHSQEHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-4-16-35(17-5-1)47-50-48(36-18-6-2-7-19-36)52-49(51-47)42-31-37(32-45-46(42)41-24-12-13-26-44(41)54-45)33-27-29-39(30-28-33)53(38-21-8-3-9-22-38)43-25-14-20-34-15-10-11-23-40(34)43/h1-32H.
What are the key properties of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 692.82 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 166867397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).