8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine

C47H30N4O — CID 169294604

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c6ccccc6c(N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)n2)cc1
InChIInChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(33-18-6-2-7-19-33)50-47(49-45)34-27-28-43-39(29-34)40-30-42(37-24-12-13-25-38(37)44(40)52-43)51(35-21-8-3-9-22-35)41-26-14-20-31-15-10-11-23-36(31)41/h1-30H
InChIKeyIZEZOJMLECCZRC-UHFFFAOYSA-N
MW666.78 g/mol
LogP12.55
Rot. Bonds6

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 169294604) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
PubChem CID169294604
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c6ccccc6c(N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)n2)cc1
InChIInChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(33-18-6-2-7-19-33)50-47(49-45)34-27-28-43-39(29-34)40-30-42(37-24-12-13-25-38(37)44(40)52-43)51(35-21-8-3-9-22-35)41-26-14-20-31-15-10-11-23-36(31)41/h1-30H
InChIKeyIZEZOJMLECCZRC-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

N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 169048881
2-[4-[4-(8-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164835026
2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143605
8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
CID 167276510
8-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167143670
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 171726902
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 169294633
N-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170095768

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine (CID 169294604) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c6ccccc6c(N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)n2)cc1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is IZEZOJMLECCZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(33-18-6-2-7-19-33)50-47(49-45)34-27-28-43-39(29-34)40-30-42(37-24-12-13-25-38(37)44(40)52-43)51(35-21-8-3-9-22-35)41-26-14-20-31-15-10-11-23-36(31)41/h1-30H.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-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 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 169294604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).