4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile

C38H26N4 — CID 146646769

IUPAC4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2ccc3ccccc3c2C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C38H26N4/c39-25-26-19-21-28(22-20-26)31-16-9-10-18-33(31)34-24-23-27-11-7-8-17-32(27)35(34)38-41-36(29-12-3-1-4-13-29)40-37(42-38)30-14-5-2-6-15-30/h1-24,38H,(H,40,41,42)
InChIKeyDFESJIZNCIYHMH-UHFFFAOYSA-N
MW538.65 g/mol
LogP8.54
Rot. Bonds5

About 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile

4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile (PubChem CID 146646769) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile
PubChem CID146646769
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2ccc3ccccc3c2C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C38H26N4/c39-25-26-19-21-28(22-20-26)31-16-9-10-18-33(31)34-24-23-27-11-7-8-17-32(27)35(34)38-41-36(29-12-3-1-4-13-29)40-37(42-38)30-14-5-2-6-15-30/h1-24,38H,(H,40,41,42)
InChIKeyDFESJIZNCIYHMH-UHFFFAOYSA-N
XLogP8.54
TPSA60.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile
CID 135245304
4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
CID 174322964
CID 129099533
CID 129099533
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 138750094
2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 155443108
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314510
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
2-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
4-[4-(2-phenylphenyl)-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 156547530
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
CID 166868486

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile?
The IUPAC name of 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile (CID 146646769) is 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccccc2-c2ccc3ccccc3c2C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile?
The InChIKey is DFESJIZNCIYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c39-25-26-19-21-28(22-20-26)31-16-9-10-18-33(31)34-24-23-27-11-7-8-17-32(27)35(34)38-41-36(29-12-3-1-4-13-29)40-37(42-38)30-14-5-2-6-15-30/h1-24,38H,(H,40,41,42).
What are the key properties of 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile?
4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile has a molecular weight of 538.65 g/mol, XLogP of 8.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 146646769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).