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

C47H33N3 — CID 134509781

IUPAC2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc3-4)cc2)cc1
InChIInChI=1S/C47H33N3/c1-31-18-20-32(21-19-31)33-22-24-34(25-23-33)39-14-8-16-41-42-17-9-15-40(44(42)30-43(39)41)35-26-28-38(29-27-35)47-49-45(36-10-4-2-5-11-36)48-46(50-47)37-12-6-3-7-13-37/h2-29H,30H2,1H3
InChIKeyMJRCVGXPTYVPTB-UHFFFAOYSA-N
MW639.80 g/mol
LogP11.75
Rot. Bonds6

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

2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 134509781) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID134509781
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc3-4)cc2)cc1
InChIInChI=1S/C47H33N3/c1-31-18-20-32(21-19-31)33-22-24-34(25-23-33)39-14-8-16-41-42-17-9-15-40(44(42)30-43(39)41)35-26-28-38(29-27-35)47-49-45(36-10-4-2-5-11-36)48-46(50-47)37-12-6-3-7-13-37/h2-29H,30H2,1H3
InChIKeyMJRCVGXPTYVPTB-UHFFFAOYSA-N
XLogP11.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-methylphenyl)-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;bis(2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine);2-(4-methylphenyl)-4-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-6-[4-(trideuteriomethyl)phenyl]-1,3,5-triazine;2-(4-methylphenyl)-4-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-6-[4-(trideuteriomethyl)phenyl]-1,3,5-triazine
CID 158450582
2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
CID 162159408
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
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-[4-[8-(9,9-dimethylfluoren-3-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241556
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2-[4-[8-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159284999
methane;2-phenyl-4-[6-[8-(4-phenylphenyl)-9H-fluoren-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazine
CID 158375243
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 134509781) is 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc3-4)cc2)cc1.
What is the InChIKey of 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MJRCVGXPTYVPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-31-18-20-32(21-19-31)33-22-24-34(25-23-33)39-14-8-16-41-42-17-9-15-40(44(42)30-43(39)41)35-26-28-38(29-27-35)47-49-45(36-10-4-2-5-11-36)48-46(50-47)37-12-6-3-7-13-37/h2-29H,30H2,1H3.
What are the key properties of 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 639.80 g/mol, XLogP of 11.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134509781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).