2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile

C38H26N4 — CID 155443108

IUPAC2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc2ccc(-c3ccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)cc3)cc12
InChIInChI=1S/C38H26N4/c39-25-32-14-7-8-16-33(32)34-17-9-15-27-20-23-31(24-35(27)34)26-18-21-30(22-19-26)38-41-36(28-10-3-1-4-11-28)40-37(42-38)29-12-5-2-6-13-29/h1-24,38H,(H,40,41,42)
InChIKeyHOICTHCABUUQEP-UHFFFAOYSA-N
MW538.65 g/mol
LogP8.54
Rot. Bonds5

About 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile

2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile (PubChem CID 155443108) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
PubChem CID155443108
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc2ccc(-c3ccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)cc3)cc12
InChIInChI=1S/C38H26N4/c39-25-32-14-7-8-16-33(32)34-17-9-15-27-20-23-31(24-35(27)34)26-18-21-30(22-19-26)38-41-36(28-10-3-1-4-11-28)40-37(42-38)29-12-5-2-6-13-29/h1-24,38H,(H,40,41,42)
InChIKeyHOICTHCABUUQEP-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

2-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
CID 174322964
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile
CID 146646769
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
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-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-(4-phenanthren-2-ylphenyl)-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 176616944
12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile?
The IUPAC name of 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile (CID 155443108) is 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile.
What is the SMILES notation for 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile?
The canonical SMILES for 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile is N#Cc1ccccc1-c1cccc2ccc(-c3ccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)cc3)cc12.
What is the InChIKey of 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile?
The InChIKey is HOICTHCABUUQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c39-25-32-14-7-8-16-33(32)34-17-9-15-27-20-23-31(24-35(27)34)26-18-21-30(22-19-26)38-41-36(28-10-3-1-4-11-28)40-37(42-38)29-12-5-2-6-13-29/h1-24,38H,(H,40,41,42).
What are the key properties of 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile?
2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]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 2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile is sourced from PubChem (CID 155443108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).