N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine

C50H33N5O — CID 166974976

IUPACN,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H33N5O/c1-4-14-34(15-5-1)36-23-27-39(28-24-36)55(40-29-25-37(26-30-40)35-16-6-2-7-17-35)44-32-31-42(47-46(44)41-20-10-11-22-45(41)56-47)49-52-48(38-18-8-3-9-19-38)53-50(54-49)43-21-12-13-33-51-43/h1-33H
InChIKeyXSTBOFHTDKRIBU-UHFFFAOYSA-N
MW719.85 g/mol
LogP12.97
Rot. Bonds8

About N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine

N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine (PubChem CID 166974976) has the molecular formula C50H33N5O and a molecular weight of 719.85 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine
PubChem CID166974976
Molecular FormulaC50H33N5O
Molecular Weight719.85 g/mol
Exact Mass719.27
IUPAC NameN,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H33N5O/c1-4-14-34(15-5-1)36-23-27-39(28-24-36)55(40-29-25-37(26-30-40)35-16-6-2-7-17-35)44-32-31-42(47-46(44)41-20-10-11-22-45(41)56-47)49-52-48(38-18-8-3-9-19-38)53-50(54-49)43-21-12-13-33-51-43/h1-33H
InChIKeyXSTBOFHTDKRIBU-UHFFFAOYSA-N
XLogP12.97
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.85
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 169048402
2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 130327493
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166975476
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
2-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 159763916
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
2,4-diphenyl-6-[4-[4-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164835177

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine (CID 166974976) is N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine?
The InChIKey is XSTBOFHTDKRIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5O/c1-4-14-34(15-5-1)36-23-27-39(28-24-36)55(40-29-25-37(26-30-40)35-16-6-2-7-17-35)44-32-31-42(47-46(44)41-20-10-11-22-45(41)56-47)49-52-48(38-18-8-3-9-19-38)53-50(54-49)43-21-12-13-33-51-43/h1-33H.
What are the key properties of N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine?
N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine has a molecular weight of 719.85 g/mol, XLogP of 12.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 166974976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).