7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile

C44H28N2 — CID 142488033

IUPAC7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c4ccccc34)cc2c1
InChIInChI=1S/C44H28N2/c45-29-30-15-16-32-17-22-36(26-37(32)25-30)40-24-23-39(41-13-7-8-14-42(40)41)33-18-20-35(21-19-33)44-28-38(31-9-3-1-4-10-31)27-43(46-44)34-11-5-2-6-12-34/h1-28H
InChIKeyAWWDEUOOGLEARV-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.59
Rot. Bonds5

About 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile

7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile (PubChem CID 142488033) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile
PubChem CID142488033
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c4ccccc34)cc2c1
InChIInChI=1S/C44H28N2/c45-29-30-15-16-32-17-22-36(26-37(32)25-30)40-24-23-39(41-13-7-8-14-42(40)41)33-18-20-35(21-19-33)44-28-38(31-9-3-1-4-10-31)27-43(46-44)34-11-5-2-6-12-34/h1-28H
InChIKeyAWWDEUOOGLEARV-UHFFFAOYSA-N
XLogP11.59
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile
CID 165376100
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317940
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142487935
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142488020
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 165013839
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439
3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959604

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile?
The IUPAC name of 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile (CID 142488033) is 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile.
What is the SMILES notation for 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile?
The canonical SMILES for 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile is N#Cc1ccc2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c4ccccc34)cc2c1.
What is the InChIKey of 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile?
The InChIKey is AWWDEUOOGLEARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c45-29-30-15-16-32-17-22-36(26-37(32)25-30)40-24-23-39(41-13-7-8-14-42(40)41)33-18-20-35(21-19-33)44-28-38(31-9-3-1-4-10-31)27-43(46-44)34-11-5-2-6-12-34/h1-28H.
What are the key properties of 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile?
7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile has a molecular weight of 584.72 g/mol, XLogP of 11.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile is sourced from PubChem (CID 142488033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).