2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile

C53H33N5 — CID 170215173

IUPAC2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc3c(-c4ccc(-c5ccccc5)nn4)cccc23)cc(-c2cccc3c(-c4ccc(-c5ccccc5)nn4)cccc23)c1
InChIInChI=1S/C53H33N5/c54-34-37-17-7-8-18-41(37)38-31-39(42-19-9-23-46-44(42)21-11-25-48(46)52-29-27-50(55-57-52)35-13-3-1-4-14-35)33-40(32-38)43-20-10-24-47-45(43)22-12-26-49(47)53-30-28-51(56-58-53)36-15-5-2-6-16-36/h1-33H
InChIKeyDAZCGJIHLJVXFT-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.11
Rot. Bonds7

About 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile

2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile (PubChem CID 170215173) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile
PubChem CID170215173
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc3c(-c4ccc(-c5ccccc5)nn4)cccc23)cc(-c2cccc3c(-c4ccc(-c5ccccc5)nn4)cccc23)c1
InChIInChI=1S/C53H33N5/c54-34-37-17-7-8-18-41(37)38-31-39(42-19-9-23-46-44(42)21-11-25-48(46)52-29-27-50(55-57-52)35-13-3-1-4-14-35)33-40(32-38)43-20-10-24-47-45(43)22-12-26-49(47)53-30-28-51(56-58-53)36-15-5-2-6-16-36/h1-33H
InChIKeyDAZCGJIHLJVXFT-UHFFFAOYSA-N
XLogP13.11
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
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2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
2-[3-(2-cyanophenyl)-5-[3,5-di(dibenzothiophen-1-yl)phenyl]phenyl]benzonitrile
CID 146354734
2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile
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2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
CID 70958757
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile
CID 90976447
2-phenylbenzonitrile;urea
CID 162064762
2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170215168
2-[3-[4-[4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174314829
5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile
CID 147840733
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134320671

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile?
The IUPAC name of 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile (CID 170215173) is 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2cccc3c(-c4ccc(-c5ccccc5)nn4)cccc23)cc(-c2cccc3c(-c4ccc(-c5ccccc5)nn4)cccc23)c1.
What is the InChIKey of 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile?
The InChIKey is DAZCGJIHLJVXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c54-34-37-17-7-8-18-41(37)38-31-39(42-19-9-23-46-44(42)21-11-25-48(46)52-29-27-50(55-57-52)35-13-3-1-4-14-35)33-40(32-38)43-20-10-24-47-45(43)22-12-26-49(47)53-30-28-51(56-58-53)36-15-5-2-6-16-36/h1-33H.
What are the key properties of 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile?
2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile has a molecular weight of 739.88 g/mol, XLogP of 13.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 170215173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).