N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine

C49H30N4O2 — CID 169294685

IUPACN-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc4oc5cc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C49H30N4O2/c1-4-15-31(16-5-1)47-50-48(32-17-6-2-7-18-32)52-49(51-47)40-29-36(30-44-45(40)39-27-33-19-10-11-20-34(33)28-43(39)54-44)53(35-21-8-3-9-22-35)41-25-14-24-38-37-23-12-13-26-42(37)55-46(38)41/h1-30H
InChIKeyILTFCXYSYQRDRJ-UHFFFAOYSA-N
MW706.81 g/mol
LogP13.29
Rot. Bonds6

About N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine

N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169294685) has the molecular formula C49H30N4O2 and a molecular weight of 706.81 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169294685
Molecular FormulaC49H30N4O2
Molecular Weight706.81 g/mol
Exact Mass706.24
IUPAC NameN-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc4oc5cc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C49H30N4O2/c1-4-15-31(16-5-1)47-50-48(32-17-6-2-7-18-32)52-49(51-47)40-29-36(30-44-45(40)39-27-33-19-10-11-20-34(33)28-43(39)54-44)53(35-21-8-3-9-22-35)41-25-14-24-38-37-23-12-13-26-42(37)55-46(38)41/h1-30H
InChIKeyILTFCXYSYQRDRJ-UHFFFAOYSA-N
XLogP13.29
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.81
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176853583
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 154938603
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170096125
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166867397
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 154968615
N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90262894
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine (CID 169294685) is N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc4oc5cc6ccccc6cc5c34)n2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is ILTFCXYSYQRDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O2/c1-4-15-31(16-5-1)47-50-48(32-17-6-2-7-18-32)52-49(51-47)40-29-36(30-44-45(40)39-27-33-19-10-11-20-34(33)28-43(39)54-44)53(35-21-8-3-9-22-35)41-25-14-24-38-37-23-12-13-26-42(37)55-46(38)41/h1-30H.
What are the key properties of N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 706.81 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169294685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).