2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C46H31N3 — CID 122416348

IUPAC2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C46H31N3/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)44-47-43(33-20-7-2-8-21-33)48-45(49-44)40-30-17-29-38-37-27-15-16-31-41(37)46(42(38)40,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-31H
InChIKeyWOAYPAZNNLPJJS-UHFFFAOYSA-N
MW625.78 g/mol
LogP10.90
Rot. Bonds6

About 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 122416348) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID122416348
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C46H31N3/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)44-47-43(33-20-7-2-8-21-33)48-45(49-44)40-30-17-29-38-37-27-15-16-31-41(37)46(42(38)40,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-31H
InChIKeyWOAYPAZNNLPJJS-UHFFFAOYSA-N
XLogP10.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 166024803
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
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
CID 155281474
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158922421
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
2-[8-[2-(9,9-diphenylfluoren-1-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002321
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160720509
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-phenyl-4-(2-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 167177813

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 122416348) is 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is WOAYPAZNNLPJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)44-47-43(33-20-7-2-8-21-33)48-45(49-44)40-30-17-29-38-37-27-15-16-31-41(37)46(42(38)40,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-31H.
What are the key properties of 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 625.78 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 122416348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).