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

C54H32N8 — CID 158089522

IUPAC2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile
SMILESN#Cc1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C#N)c2ccccc12
InChIInChI=1S/C54H32N8/c55-33-45-43-29-13-14-30-44(43)46(34-56)48(40-26-16-28-42(32-40)54-61-51(37-21-9-3-10-22-37)58-52(62-54)38-23-11-4-12-24-38)47(45)39-25-15-27-41(31-39)53-59-49(35-17-5-1-6-18-35)57-50(60-53)36-19-7-2-8-20-36/h1-32H
InChIKeyLKRBHOUKBOJGTK-UHFFFAOYSA-N
MW792.91 g/mol
LogP12.29
Rot. Bonds8

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

2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile (PubChem CID 158089522) has the molecular formula C54H32N8 and a molecular weight of 792.91 g/mol. Its IUPAC name is 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile
PubChem CID158089522
Molecular FormulaC54H32N8
Molecular Weight792.91 g/mol
Exact Mass792.27
IUPAC Name2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile
SMILESN#Cc1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C#N)c2ccccc12
InChIInChI=1S/C54H32N8/c55-33-45-43-29-13-14-30-44(43)46(34-56)48(40-26-16-28-42(32-40)54-61-51(37-21-9-3-10-22-37)58-52(62-54)38-23-11-4-12-24-38)47(45)39-25-15-27-41(31-39)53-59-49(35-17-5-1-6-18-35)57-50(60-53)36-19-7-2-8-20-36/h1-32H
InChIKeyLKRBHOUKBOJGTK-UHFFFAOYSA-N
XLogP12.29
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.91
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169296947
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 165099707
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-triphenylen-2-ylbenzonitrile
CID 137468913
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
4-[4-(4-cyano-3,5-difluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorobenzonitrile
CID 163289957
2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 138553182
4-[12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]chrysen-6-yl]benzonitrile
CID 167057072
4-[2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 170214643

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile?
The IUPAC name of 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile (CID 158089522) is 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile?
The canonical SMILES for 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile is N#Cc1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C#N)c2ccccc12.
What is the InChIKey of 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile?
The InChIKey is LKRBHOUKBOJGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N8/c55-33-45-43-29-13-14-30-44(43)46(34-56)48(40-26-16-28-42(32-40)54-61-51(37-21-9-3-10-22-37)58-52(62-54)38-23-11-4-12-24-38)47(45)39-25-15-27-41(31-39)53-59-49(35-17-5-1-6-18-35)57-50(60-53)36-19-7-2-8-20-36/h1-32H.
What are the key properties of 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile?
2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile has a molecular weight of 792.91 g/mol, XLogP of 12.29, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile is sourced from PubChem (CID 158089522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).