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

C44H26N4O — CID 163984765

IUPAC7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
SMILESN#Cc1cc2c(oc3cccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c32)c2ccccc12
InChIInChI=1S/C44H26N4O/c45-27-34-26-38-40-36(16-9-17-39(40)49-41(38)37-15-8-7-14-35(34)37)30-22-18-28(19-23-30)29-20-24-33(25-21-29)44-47-42(31-10-3-1-4-11-31)46-43(48-44)32-12-5-2-6-13-32/h1-26H
InChIKeyTVHFPYYCTZVMDR-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.13
Rot. Bonds5

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

7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile (PubChem CID 163984765) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile.

Molecular Properties

Compound Name7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
PubChem CID163984765
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
SMILESN#Cc1cc2c(oc3cccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c32)c2ccccc12
InChIInChI=1S/C44H26N4O/c45-27-34-26-38-40-36(16-9-17-39(40)49-41(38)37-15-8-7-14-35(34)37)30-22-18-28(19-23-30)29-20-24-33(25-21-29)44-47-42(31-10-3-1-4-11-31)46-43(48-44)32-12-5-2-6-13-32/h1-26H
InChIKeyTVHFPYYCTZVMDR-UHFFFAOYSA-N
XLogP11.13
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 164835368
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
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-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 164835003
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
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-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164835046
2-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 148516299
4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 164835215
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257
2-dibenzofuran-2-yl-4-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176818485

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The IUPAC name of 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile (CID 163984765) is 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile.
What is the SMILES notation for 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The canonical SMILES for 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile is N#Cc1cc2c(oc3cccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c32)c2ccccc12.
What is the InChIKey of 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The InChIKey is TVHFPYYCTZVMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c45-27-34-26-38-40-36(16-9-17-39(40)49-41(38)37-15-8-7-14-35(34)37)30-22-18-28(19-23-30)29-20-24-33(25-21-29)44-47-42(31-10-3-1-4-11-31)46-43(48-44)32-12-5-2-6-13-32/h1-26H.
What are the key properties of 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile has a molecular weight of 626.72 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile is sourced from PubChem (CID 163984765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).