2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine

C51H44N6 — CID 58142146

IUPAC2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
SMILESCc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(C3(c4nc(-c5cc(C)cc(C)c5)nc(-c5cc(C)cc(C)c5)n4)c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C51H44N6/c1-29-17-30(2)22-37(21-29)45-52-46(38-23-31(3)18-32(4)24-38)55-49(54-45)51(43-15-11-9-13-41(43)42-14-10-12-16-44(42)51)50-56-47(39-25-33(5)19-34(6)26-39)53-48(57-50)40-27-35(7)20-36(8)28-40/h9-28H,1-8H3
InChIKeyVZXZQCGVEFHRAC-UHFFFAOYSA-N
MW740.95 g/mol
LogP11.56
Rot. Bonds6

About 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine

2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine (PubChem CID 58142146) has the molecular formula C51H44N6 and a molecular weight of 740.95 g/mol. Its IUPAC name is 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
PubChem CID58142146
Molecular FormulaC51H44N6
Molecular Weight740.95 g/mol
Exact Mass740.36
IUPAC Name2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
SMILESCc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(C3(c4nc(-c5cc(C)cc(C)c5)nc(-c5cc(C)cc(C)c5)n4)c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C51H44N6/c1-29-17-30(2)22-37(21-29)45-52-46(38-23-31(3)18-32(4)24-38)55-49(54-45)51(43-15-11-9-13-41(43)42-14-10-12-16-44(42)51)50-56-47(39-25-33(5)19-34(6)26-39)53-48(57-50)40-27-35(7)20-36(8)28-40/h9-28H,1-8H3
InChIKeyVZXZQCGVEFHRAC-UHFFFAOYSA-N
XLogP11.56
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-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-(3,5-diphenylphenyl)-4-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]fluoren-9-yl]-6-phenyl-1,3,5-triazine
CID 170367767
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
2-(4-methylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
CID 134253394
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226
2-[9,9-bis(2-methylphenyl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 139566173
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102
2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886282
2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine
CID 58233388
2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821194
2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 164821212

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine (CID 58142146) is 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine is Cc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(C3(c4nc(-c5cc(C)cc(C)c5)nc(-c5cc(C)cc(C)c5)n4)c4ccccc4-c4ccccc43)n2)c1.
What is the InChIKey of 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine?
The InChIKey is VZXZQCGVEFHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N6/c1-29-17-30(2)22-37(21-29)45-52-46(38-23-31(3)18-32(4)24-38)55-49(54-45)51(43-15-11-9-13-41(43)42-14-10-12-16-44(42)51)50-56-47(39-25-33(5)19-34(6)26-39)53-48(57-50)40-27-35(7)20-36(8)28-40/h9-28H,1-8H3.
What are the key properties of 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine?
2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine has a molecular weight of 740.95 g/mol, XLogP of 11.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58142146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).