7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile

C38H22N4O — CID 164835368

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
SMILESN#Cc1cc2c(oc3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c32)c2ccccc12
InChIInChI=1S/C38H22N4O/c39-23-28-22-32-34-30(19-10-20-33(34)43-35(32)31-18-8-7-17-29(28)31)26-15-9-16-27(21-26)38-41-36(24-11-3-1-4-12-24)40-37(42-38)25-13-5-2-6-14-25/h1-22H
InChIKeyVFAKLASYYBOVNE-UHFFFAOYSA-N
MW550.62 g/mol
LogP9.46
Rot. Bonds4

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile (PubChem CID 164835368) has the molecular formula C38H22N4O and a molecular weight of 550.62 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
PubChem CID164835368
Molecular FormulaC38H22N4O
Molecular Weight550.62 g/mol
Exact Mass550.18
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
SMILESN#Cc1cc2c(oc3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c32)c2ccccc12
InChIInChI=1S/C38H22N4O/c39-23-28-22-32-34-30(19-10-20-33(34)43-35(32)31-18-8-7-17-29(28)31)26-15-9-16-27(21-26)38-41-36(24-11-3-1-4-12-24)40-37(42-38)25-13-5-2-6-14-25/h1-22H
InChIKeyVFAKLASYYBOVNE-UHFFFAOYSA-N
XLogP9.46
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 163984765
4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164835293
4-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532
2-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile
CID 157347372
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
CID 168774831
2-dibenzofuran-1-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818397
2-dibenzofuran-2-yl-4-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176818485
2,4-diphenyl-6-[4-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834896
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile (CID 164835368) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile is N#Cc1cc2c(oc3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c32)c2ccccc12.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The InChIKey is VFAKLASYYBOVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O/c39-23-28-22-32-34-30(19-10-20-33(34)43-35(32)31-18-8-7-17-29(28)31)26-15-9-16-27(21-26)38-41-36(24-11-3-1-4-12-24)40-37(42-38)25-13-5-2-6-14-25/h1-22H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile has a molecular weight of 550.62 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile is sourced from PubChem (CID 164835368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).