2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile

C49H34N4 — CID 155765144

IUPAC2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c2-c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C49H34N4/c1-49(2)42-20-12-11-19-41(42)45-43(49)30-29-40(44(45)34-25-21-32(22-26-34)39-18-10-9-17-38(39)31-50)33-23-27-37(28-24-33)48-52-46(35-13-5-3-6-14-35)51-47(53-48)36-15-7-4-8-16-36/h3-30H,1-2H3
InChIKeyJEDVRIPHWHMIKT-UHFFFAOYSA-N
MW678.84 g/mol
LogP12.05
Rot. Bonds6

About 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile

2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile (PubChem CID 155765144) has the molecular formula C49H34N4 and a molecular weight of 678.84 g/mol. Its IUPAC name is 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
PubChem CID155765144
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC Name2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c2-c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C49H34N4/c1-49(2)42-20-12-11-19-41(42)45-43(49)30-29-40(44(45)34-25-21-32(22-26-34)39-18-10-9-17-38(39)31-50)33-23-27-37(28-24-33)48-52-46(35-13-5-3-6-14-35)51-47(53-48)36-15-7-4-8-16-36/h3-30H,1-2H3
InChIKeyJEDVRIPHWHMIKT-UHFFFAOYSA-N
XLogP12.05
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile 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-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765149
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
CID 155765185
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750088
7-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749717
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 166796495
9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
CID 142294556
9,9-dimethyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
CID 166796594
9,9-dimethyl-6-[4-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-4-carbonitrile
CID 159895253
9,9-dimethyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile;9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 163578084
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163486179

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile (CID 155765144) is 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile is CC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c2-c1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile?
The InChIKey is JEDVRIPHWHMIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-49(2)42-20-12-11-19-41(42)45-43(49)30-29-40(44(45)34-25-21-32(22-26-34)39-18-10-9-17-38(39)31-50)33-23-27-37(28-24-33)48-52-46(35-13-5-3-6-14-35)51-47(53-48)36-15-7-4-8-16-36/h3-30H,1-2H3.
What are the key properties of 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile?
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile has a molecular weight of 678.84 g/mol, XLogP of 12.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 155765144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).