2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene

C45H39N3 — CID 145324578

IUPAC2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C23H22.C22H17N3/c1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h5-14H,1-4H3;2-15H,1H3
InChIKeyMSKQJSMFKQHEFA-UHFFFAOYSA-N
MW621.83 g/mol
LogP11.46
Rot. Bonds4

About 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene

2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene (PubChem CID 145324578) has the molecular formula C45H39N3 and a molecular weight of 621.83 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene.

Molecular Properties

Compound Name2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
PubChem CID145324578
Molecular FormulaC45H39N3
Molecular Weight621.83 g/mol
Exact Mass621.31
IUPAC Name2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C23H22.C22H17N3/c1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h5-14H,1-4H3;2-15H,1H3
InChIKeyMSKQJSMFKQHEFA-UHFFFAOYSA-N
XLogP11.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.83
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine
CID 138617958
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139400666
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2-(9,9-dimethylfluoren-3-yl)-4-methyl-6-phenyl-1,3,5-triazine
CID 168805901
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226
2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465629

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene?
The IUPAC name of 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene (CID 145324578) is 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene.
What is the SMILES notation for 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene?
The canonical SMILES for 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene is Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene?
The InChIKey is MSKQJSMFKQHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22.C22H17N3/c1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h5-14H,1-4H3;2-15H,1H3.
What are the key properties of 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene?
2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene has a molecular weight of 621.83 g/mol, XLogP of 11.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene is sourced from PubChem (CID 145324578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).