4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine

C51H32N4O — CID 170213623

IUPAC4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(N(c2ccccc2)c2c3ccccc3cc3c2oc2c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cccc23)cc1
InChIInChI=1S/C51H32N4O/c1-3-19-40(20-4-1)55(41-21-5-2-6-22-41)46-42-23-12-11-18-37(42)32-45-43-24-13-25-44(47(43)56-48(45)46)51-53-49(38-28-26-33-14-7-9-16-35(33)30-38)52-50(54-51)39-29-27-34-15-8-10-17-36(34)31-39/h1-32H
InChIKeyWMUMOFUDABIPRA-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.70
Rot. Bonds6

About 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine

4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine (PubChem CID 170213623) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine.

Molecular Properties

Compound Name4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
PubChem CID170213623
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(N(c2ccccc2)c2c3ccccc3cc3c2oc2c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cccc23)cc1
InChIInChI=1S/C51H32N4O/c1-3-19-40(20-4-1)55(41-21-5-2-6-22-41)46-42-23-12-11-18-37(42)32-45-43-24-13-25-44(47(43)56-48(45)46)51-53-49(38-28-26-33-14-7-9-16-35(33)30-38)52-50(54-51)39-29-27-34-15-8-10-17-36(34)31-39/h1-32H
InChIKeyWMUMOFUDABIPRA-UHFFFAOYSA-N
XLogP13.70
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
CID 170212928
2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170212090
2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817925
2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213573
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403415
4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline
CID 156553824
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146631342
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine?
The IUPAC name of 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine (CID 170213623) is 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine.
What is the SMILES notation for 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine?
The canonical SMILES for 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine is c1ccc(N(c2ccccc2)c2c3ccccc3cc3c2oc2c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cccc23)cc1.
What is the InChIKey of 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine?
The InChIKey is WMUMOFUDABIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-19-40(20-4-1)55(41-21-5-2-6-22-41)46-42-23-12-11-18-37(42)32-45-43-24-13-25-44(47(43)56-48(45)46)51-53-49(38-28-26-33-14-7-9-16-35(33)30-38)52-50(54-51)39-29-27-34-15-8-10-17-36(34)31-39/h1-32H.
What are the key properties of 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine?
4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine has a molecular weight of 716.84 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine is sourced from PubChem (CID 170213623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).