5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile

C45H27N5 — CID 147840733

IUPAC5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile
SMILESN#Cc1cccc2c(-c3nc4ccccc4nc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4ccccc34)cccc12
InChIInChI=1S/C45H27N5/c46-28-31-17-11-21-33-32(31)20-12-22-36(33)43-44(48-40-24-10-9-23-39(40)47-43)37-25-26-38(35-19-8-7-18-34(35)37)45-49-41(29-13-3-1-4-14-29)27-42(50-45)30-15-5-2-6-16-30/h1-27H
InChIKeyHSXMRTLTAUYCQA-UHFFFAOYSA-N
MW637.75 g/mol
LogP10.93
Rot. Bonds5

About 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile

5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile (PubChem CID 147840733) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile
PubChem CID147840733
Molecular FormulaC45H27N5
Molecular Weight637.75 g/mol
Exact Mass637.23
IUPAC Name5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile
SMILESN#Cc1cccc2c(-c3nc4ccccc4nc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4ccccc34)cccc12
InChIInChI=1S/C45H27N5/c46-28-31-17-11-21-33-32(31)20-12-22-36(33)43-44(48-40-24-10-9-23-39(40)47-43)37-25-26-38(35-19-8-7-18-34(35)37)45-49-41(29-13-3-1-4-14-29)27-42(50-45)30-15-5-2-6-16-30/h1-27H
InChIKeyHSXMRTLTAUYCQA-UHFFFAOYSA-N
XLogP10.93
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.75
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
4-[3-[5-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-5,6-bis(ethenyl)pyrazin-2-yl]benzonitrile
CID 153355009
4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
CID 130355522
2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
CID 70958757
3-[3-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]quinoxalin-2-yl]benzonitrile
CID 147109877
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170215168
2-[6-[2,3-bis(2-cyanophenyl)quinoxalin-6-yl]-3-(2-cyanophenyl)quinoxalin-2-yl]benzonitrile
CID 70667457
3-[3-(2,6-diphenylpyrimidin-4-yl)quinoxalin-2-yl]benzonitrile
CID 153355113
4-[9-(4,6-diphenylpyrimidin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055149

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile?
The IUPAC name of 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile (CID 147840733) is 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile is N#Cc1cccc2c(-c3nc4ccccc4nc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4ccccc34)cccc12.
What is the InChIKey of 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile?
The InChIKey is HSXMRTLTAUYCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c46-28-31-17-11-21-33-32(31)20-12-22-36(33)43-44(48-40-24-10-9-23-39(40)47-43)37-25-26-38(35-19-8-7-18-34(35)37)45-49-41(29-13-3-1-4-14-29)27-42(50-45)30-15-5-2-6-16-30/h1-27H.
What are the key properties of 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile?
5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile has a molecular weight of 637.75 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 147840733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).