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

C42H26N4 — CID 142488002

IUPAC4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C42H26N4/c43-27-33-24-26-38(37-18-10-9-16-34(33)37)39-35-17-8-7-11-28(35)23-25-36(39)29-19-21-32(22-20-29)42-45-40(30-12-3-1-4-13-30)44-41(46-42)31-14-5-2-6-15-31/h1-26H
InChIKeyQXKVQYBWXYHBSU-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.38
Rot. Bonds5

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

4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile (PubChem CID 142488002) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
PubChem CID142488002
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C42H26N4/c43-27-33-24-26-38(37-18-10-9-16-34(33)37)39-35-17-8-7-11-28(35)23-25-36(39)29-19-21-32(22-20-29)42-45-40(30-12-3-1-4-13-30)44-41(46-42)31-14-5-2-6-15-31/h1-26H
InChIKeyQXKVQYBWXYHBSU-UHFFFAOYSA-N
XLogP10.38
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]naphthalene-1-carbonitrile
CID 142487986
5-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzene-1,3-dicarbonitrile
CID 134320433
4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-1-carbonitrile
CID 165376112
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile
CID 131985794
2-[4-[1-[4-[(2Z,4Z)-hexa-2,4-dienyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]benzonitrile
CID 135247205
3-[2-[4-[4-[4-[8-(4-cyanophenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 138750058
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134320671
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile (CID 142488002) is 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile is N#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc3ccccc23)c2ccccc12.
What is the InChIKey of 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile?
The InChIKey is QXKVQYBWXYHBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c43-27-33-24-26-38(37-18-10-9-16-34(33)37)39-35-17-8-7-11-28(35)23-25-36(39)29-19-21-32(22-20-29)42-45-40(30-12-3-1-4-13-30)44-41(46-42)31-14-5-2-6-15-31/h1-26H.
What are the key properties of 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile?
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile has a molecular weight of 586.70 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 142488002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).