2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C42H31N3 — CID 155765149

IUPAC2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1ccccc1
InChIInChI=1S/C42H31N3/c1-42(2)35-24-13-12-23-34(35)38-36(42)26-25-33(37(38)28-15-6-3-7-16-28)31-21-14-22-32(27-31)41-44-39(29-17-8-4-9-18-29)43-40(45-41)30-19-10-5-11-20-30/h3-27H,1-2H3
InChIKeyYONFXRDMJVSBKQ-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.51
Rot. Bonds5

About 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155765149) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155765149
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1ccccc1
InChIInChI=1S/C42H31N3/c1-42(2)35-24-13-12-23-34(35)38-36(42)26-25-33(37(38)28-15-6-3-7-16-28)31-21-14-22-32(27-31)41-44-39(29-17-8-4-9-18-29)43-40(45-41)30-19-10-5-11-20-30/h3-27H,1-2H3
InChIKeyYONFXRDMJVSBKQ-UHFFFAOYSA-N
XLogP10.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765194
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
CID 155765144
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
2-[3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166565386
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155465836
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 155765149) is 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1ccccc1.
What is the InChIKey of 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is YONFXRDMJVSBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-42(2)35-24-13-12-23-34(35)38-36(42)26-25-33(37(38)28-15-6-3-7-16-28)31-21-14-22-32(27-31)41-44-39(29-17-8-4-9-18-29)43-40(45-41)30-19-10-5-11-20-30/h3-27H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 577.73 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155765149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).