5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile

C47H34N4 — CID 139314510

IUPAC5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2c(-c3ccc(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)c4ccccc34)cccc21
InChIInChI=1S/C47H34N4/c1-47(2)41-19-11-18-39(43(41)40-25-20-30(29-48)28-42(40)47)38-27-26-35(36-16-9-10-17-37(36)38)31-21-23-34(24-22-31)46-50-44(32-12-5-3-6-13-32)49-45(51-46)33-14-7-4-8-15-33/h3-28,46H,1-2H3,(H,49,50,51)
InChIKeyRWRGEJOCCBXEII-UHFFFAOYSA-N
MW654.82 g/mol
LogP10.85
Rot. Bonds5

About 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile

5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile (PubChem CID 139314510) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
PubChem CID139314510
Molecular FormulaC47H34N4
Molecular Weight654.82 g/mol
Exact Mass654.28
IUPAC Name5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2c(-c3ccc(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)c4ccccc34)cccc21
InChIInChI=1S/C47H34N4/c1-47(2)41-19-11-18-39(43(41)40-25-20-30(29-48)28-42(40)47)38-27-26-35(36-16-9-10-17-37(36)38)31-21-23-34(24-22-31)46-50-44(32-12-5-3-6-13-32)49-45(51-46)33-14-7-4-8-15-33/h3-28,46H,1-2H3,(H,49,50,51)
InChIKeyRWRGEJOCCBXEII-UHFFFAOYSA-N
XLogP10.85
TPSA60.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-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-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146495104
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-1,4-dihydropyrimidin-6-yl]benzonitrile
CID 142504438
4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 145377617
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
2-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961011
4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
CID 174322964
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170410125
2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 155443108
6-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-11,11-dimethylbenzo[b]fluorene-2-carbonitrile
CID 161105565
3-[4-[10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]phenyl]benzonitrile
CID 167178488

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile?
The IUPAC name of 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile (CID 139314510) is 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile.
What is the SMILES notation for 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile?
The canonical SMILES for 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2c(-c3ccc(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)c4ccccc34)cccc21.
What is the InChIKey of 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile?
The InChIKey is RWRGEJOCCBXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-47(2)41-19-11-18-39(43(41)40-25-20-30(29-48)28-42(40)47)38-27-26-35(36-16-9-10-17-37(36)38)31-21-23-34(24-22-31)46-50-44(32-12-5-3-6-13-32)49-45(51-46)33-14-7-4-8-15-33/h3-28,46H,1-2H3,(H,49,50,51).
What are the key properties of 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile?
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile has a molecular weight of 654.82 g/mol, XLogP of 10.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile is sourced from PubChem (CID 139314510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).