2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine

C38H31N3 — CID 20724533

IUPAC2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)cc3)n2)cc1
InChIInChI=1S/C38H31N3/c1-24-10-13-28(14-11-24)36-39-35(27-8-6-5-7-9-27)40-37(41-36)29-17-15-26(16-18-29)30-19-21-32-31-20-12-25(2)22-33(31)38(3,4)34(32)23-30/h5-23H,1-4H3
InChIKeyGXQDZMQPHRFTGC-UHFFFAOYSA-N
MW529.69 g/mol
LogP9.46
Rot. Bonds4

About 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine

2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine (PubChem CID 20724533) has the molecular formula C38H31N3 and a molecular weight of 529.69 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
PubChem CID20724533
Molecular FormulaC38H31N3
Molecular Weight529.69 g/mol
Exact Mass529.25
IUPAC Name2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)cc3)n2)cc1
InChIInChI=1S/C38H31N3/c1-24-10-13-28(14-11-24)36-39-35(27-8-6-5-7-9-27)40-37(41-36)29-17-15-26(16-18-29)30-19-21-32-31-20-12-25(2)22-33(31)38(3,4)34(32)23-30/h5-23H,1-4H3
InChIKeyGXQDZMQPHRFTGC-UHFFFAOYSA-N
XLogP9.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.69
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine (CID 20724533) is 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)cc3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is GXQDZMQPHRFTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N3/c1-24-10-13-28(14-11-24)36-39-35(27-8-6-5-7-9-27)40-37(41-36)29-17-15-26(16-18-29)30-19-21-32-31-20-12-25(2)22-33(31)38(3,4)34(32)23-30/h5-23H,1-4H3.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine?
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 529.69 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 20724533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).