7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile

C43H34N4 — CID 129099191

IUPAC7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4C4NC(c5ccccc5)=NC(c5ccccc5)N4)cc3)ccc2-c2cccc(C#N)c21
InChIInChI=1S/C43H34N4/c1-43(2)38-26-32(24-25-35(38)36-19-11-16-33(27-44)39(36)43)28-20-22-29(23-21-28)34-17-9-10-18-37(34)42-46-40(30-12-5-3-6-13-30)45-41(47-42)31-14-7-4-8-15-31/h3-26,40,42,46H,1-2H3,(H,45,47)
InChIKeyKWRUJTBVZVGTSF-UHFFFAOYSA-N
MW606.77 g/mol
LogP9.54
Rot. Bonds5

About 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile

7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile (PubChem CID 129099191) has the molecular formula C43H34N4 and a molecular weight of 606.77 g/mol. Its IUPAC name is 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile.

Molecular Properties

Compound Name7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
PubChem CID129099191
Molecular FormulaC43H34N4
Molecular Weight606.77 g/mol
Exact Mass606.28
IUPAC Name7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4C4NC(c5ccccc5)=NC(c5ccccc5)N4)cc3)ccc2-c2cccc(C#N)c21
InChIInChI=1S/C43H34N4/c1-43(2)38-26-32(24-25-35(38)36-19-11-16-33(27-44)39(36)43)28-20-22-29(23-21-28)34-17-9-10-18-37(34)42-46-40(30-12-5-3-6-13-30)45-41(47-42)31-14-7-4-8-15-31/h3-26,40,42,46H,1-2H3,(H,45,47)
InChIKeyKWRUJTBVZVGTSF-UHFFFAOYSA-N
XLogP9.54
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 59.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099540
7-[4-[1-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314232
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
2-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-3-(4-fluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267887
2-[2-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099445
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-4-ylphenyl]fluorene-1-carbonitrile
CID 171421544
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenanthren-9-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504715
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543844
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099120

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile?
The IUPAC name of 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile (CID 129099191) is 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile.
What is the SMILES notation for 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile?
The canonical SMILES for 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile is CC1(C)c2cc(-c3ccc(-c4ccccc4C4NC(c5ccccc5)=NC(c5ccccc5)N4)cc3)ccc2-c2cccc(C#N)c21.
What is the InChIKey of 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile?
The InChIKey is KWRUJTBVZVGTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4/c1-43(2)38-26-32(24-25-35(38)36-19-11-16-33(27-44)39(36)43)28-20-22-29(23-21-28)34-17-9-10-18-37(34)42-46-40(30-12-5-3-6-13-30)45-41(47-42)31-14-7-4-8-15-31/h3-26,40,42,46H,1-2H3,(H,45,47).
What are the key properties of 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile?
7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile has a molecular weight of 606.77 g/mol, XLogP of 9.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile is sourced from PubChem (CID 129099191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).