2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine

C40H27N3 — CID 146505773

IUPAC2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ncnc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C40H27N3/c1-4-13-28(14-5-1)29-23-25-30(26-24-29)38-41-27-42-39(43-38)34-20-12-22-36-37(34)33-19-10-11-21-35(33)40(36,31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-27H
InChIKeyXRESAVFTPIGRKU-UHFFFAOYSA-N
MW549.68 g/mol
LogP9.24
Rot. Bonds5

About 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine

2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146505773) has the molecular formula C40H27N3 and a molecular weight of 549.68 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine
PubChem CID146505773
Molecular FormulaC40H27N3
Molecular Weight549.68 g/mol
Exact Mass549.22
IUPAC Name2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ncnc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C40H27N3/c1-4-13-28(14-5-1)29-23-25-30(26-24-29)38-41-27-42-39(43-38)34-20-12-22-36-37(34)33-19-10-11-21-35(33)40(36,31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-27H
InChIKeyXRESAVFTPIGRKU-UHFFFAOYSA-N
XLogP9.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134569779
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 155765178
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 153287675
2-(4-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146633327
2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465666

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine (CID 146505773) is 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3ncnc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is XRESAVFTPIGRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3/c1-4-13-28(14-5-1)29-23-25-30(26-24-29)38-41-27-42-39(43-38)34-20-12-22-36-37(34)33-19-10-11-21-35(33)40(36,31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-27H.
What are the key properties of 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine?
2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 549.68 g/mol, XLogP of 9.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146505773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).