2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine

C41H30N4 — CID 146632776

IUPAC2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccnc5)n4)cc3)cccc21
InChIInChI=1S/C41H30N4/c1-41(2)35-15-7-6-13-34(35)37-33(14-8-16-36(37)41)29-19-23-31(24-20-29)39-43-38(44-40(45-39)32-12-9-25-42-26-32)30-21-17-28(18-22-30)27-10-4-3-5-11-27/h3-26H,1-2H3
InChIKeyXHIHFNIKFCJFEE-UHFFFAOYSA-N
MW578.72 g/mol
LogP9.91
Rot. Bonds5

About 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine

2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 146632776) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
PubChem CID146632776
Molecular FormulaC41H30N4
Molecular Weight578.72 g/mol
Exact Mass578.25
IUPAC Name2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccnc5)n4)cc3)cccc21
InChIInChI=1S/C41H30N4/c1-41(2)35-15-7-6-13-34(35)37-33(14-8-16-36(37)41)29-19-23-31(24-20-29)39-43-38(44-40(45-39)32-12-9-25-42-26-32)30-21-17-28(18-22-30)27-10-4-3-5-11-27/h3-26H,1-2H3
InChIKeyXHIHFNIKFCJFEE-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-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

Related Compounds

2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765194
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632410
2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
CID 159702914
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine
CID 126543598
2-phenyl-4-(4-phenylphenyl)-6-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]-1,3,5-triazine
CID 166901559
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153302560
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine (CID 146632776) is 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccnc5)n4)cc3)cccc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The InChIKey is XHIHFNIKFCJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4/c1-41(2)35-15-7-6-13-34(35)37-33(14-8-16-36(37)41)29-19-23-31(24-20-29)39-43-38(44-40(45-39)32-12-9-25-42-26-32)30-21-17-28(18-22-30)27-10-4-3-5-11-27/h3-26H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine has a molecular weight of 578.72 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine is sourced from PubChem (CID 146632776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).