5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine

C47H30N4O — CID 164707593

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C47H30N4O/c1-4-15-32(16-5-1)45-48-46(33-17-6-2-7-18-33)50-47(49-45)40-30-43-44(39-23-13-12-22-38(39)40)41-29-37(26-27-42(41)52-43)51(35-20-8-3-9-21-35)36-25-24-31-14-10-11-19-34(31)28-36/h1-30H
InChIKeyUSTWVJQVTGMLNC-UHFFFAOYSA-N
MW666.78 g/mol
LogP12.55
Rot. Bonds6

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 164707593) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
PubChem CID164707593
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C47H30N4O/c1-4-15-32(16-5-1)45-48-46(33-17-6-2-7-18-33)50-47(49-45)40-30-43-44(39-23-13-12-22-38(39)40)41-29-37(26-27-42(41)52-43)51(35-20-8-3-9-21-35)36-25-24-31-14-10-11-19-34(31)28-36/h1-30H
InChIKeyUSTWVJQVTGMLNC-UHFFFAOYSA-N
XLogP12.55
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402770
N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853565
N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
CID 170093374
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
2-naphthalen-2-yl-4-[10-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164707567
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-2-amine
CID 176818070
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
N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
CID 155485378
11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363481
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 171757236
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine (CID 164707593) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is USTWVJQVTGMLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-4-15-32(16-5-1)45-48-46(33-17-6-2-7-18-33)50-47(49-45)40-30-43-44(39-23-13-12-22-38(39)40)41-29-37(26-27-42(41)52-43)51(35-20-8-3-9-21-35)36-25-24-31-14-10-11-19-34(31)28-36/h1-30H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 666.78 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 164707593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).