2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine

C55H35N3O — CID 174304243

IUPAC2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7c8ccccc8ccc7c6c5)n4)cc3)c2)cc1
InChIInChI=1S/C55H35N3O/c1-5-15-36(16-6-1)44-34-47(37-17-7-2-8-18-37)51(40-20-9-3-10-21-40)48(35-44)39-25-27-42(28-26-39)54-56-53(41-22-11-4-12-23-41)57-55(58-54)43-30-32-50-49(33-43)46-31-29-38-19-13-14-24-45(38)52(46)59-50/h1-35H
InChIKeyCGIBQBHCAQNYBD-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.59
Rot. Bonds7

About 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine

2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 174304243) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine
PubChem CID174304243
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7c8ccccc8ccc7c6c5)n4)cc3)c2)cc1
InChIInChI=1S/C55H35N3O/c1-5-15-36(16-6-1)44-34-47(37-17-7-2-8-18-37)51(40-20-9-3-10-21-40)48(35-44)39-25-27-42(28-26-39)54-56-53(41-22-11-4-12-23-41)57-55(58-54)43-30-32-50-49(33-43)46-31-29-38-19-13-14-24-45(38)52(46)59-50/h1-35H
InChIKeyCGIBQBHCAQNYBD-UHFFFAOYSA-N
XLogP14.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897
2-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177079290
2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 138691594
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
8-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170374689
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817731
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130190112
2-naphtho[1,2-b][1]benzofuran-9-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 174365013
4-[3-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142293803
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-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176817775

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine (CID 174304243) is 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7c8ccccc8ccc7c6c5)n4)cc3)c2)cc1.
What is the InChIKey of 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is CGIBQBHCAQNYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-5-15-36(16-6-1)44-34-47(37-17-7-2-8-18-37)51(40-20-9-3-10-21-40)48(35-44)39-25-27-42(28-26-39)54-56-53(41-22-11-4-12-23-41)57-55(58-54)43-30-32-50-49(33-43)46-31-29-38-19-13-14-24-45(38)52(46)59-50/h1-35H.
What are the key properties of 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine?
2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 753.91 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[4-(2,3,5-triphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174304243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).