2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane

C41H31N3 — CID 161009939

IUPAC2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane
SMILESC.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cccc(-c6ccccc6)c4C5)c3)n2)cc1
InChIInChI=1S/C40H27N3.CH4/c1-4-12-27(13-5-1)34-20-11-21-35-36-25-31(22-23-32(36)26-37(34)35)30-18-10-19-33(24-30)40-42-38(28-14-6-2-7-15-28)41-39(43-40)29-16-8-3-9-17-29;/h1-25H,26H2;1H4
InChIKeyTWZRFBQKZQVAGM-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.41
Rot. Bonds5

About 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane

2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane (PubChem CID 161009939) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane
PubChem CID161009939
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane
SMILESC.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cccc(-c6ccccc6)c4C5)c3)n2)cc1
InChIInChI=1S/C40H27N3.CH4/c1-4-12-27(13-5-1)34-20-11-21-35-36-25-31(22-23-32(36)26-37(34)35)30-18-10-19-33(24-30)40-42-38(28-14-6-2-7-15-28)41-39(43-40)29-16-8-3-9-17-29;/h1-25H,26H2;1H4
InChIKeyTWZRFBQKZQVAGM-UHFFFAOYSA-N
XLogP10.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423
2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685425
2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine
CID 159788498
2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
CID 162159408
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
2,4-diphenyl-6-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158972652
2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159816349
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
CID 118685410
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
CID 118685409
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-[4-(9H-fluoren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154951427

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane?
The IUPAC name of 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane (CID 161009939) is 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane.
What is the SMILES notation for 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane?
The canonical SMILES for 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane is C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cccc(-c6ccccc6)c4C5)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane?
The InChIKey is TWZRFBQKZQVAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3.CH4/c1-4-12-27(13-5-1)34-20-11-21-35-36-25-31(22-23-32(36)26-37(34)35)30-18-10-19-33(24-30)40-42-38(28-14-6-2-7-15-28)41-39(43-40)29-16-8-3-9-17-29;/h1-25H,26H2;1H4.
What are the key properties of 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane?
2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane has a molecular weight of 565.72 g/mol, XLogP of 10.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane is sourced from PubChem (CID 161009939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).