2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C62H39N3 — CID 166751806

IUPAC2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc3-4)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C62H39N3/c1-5-16-40(17-6-1)49-26-13-14-27-54(49)61-64-59(44-18-7-2-8-19-44)63-60(65-61)46-33-36-52-51-35-32-45(50-34-30-43-29-28-41-20-15-21-42-31-37-53(50)58(43)57(41)42)38-55(51)62(56(52)39-46,47-22-9-3-10-23-47)48-24-11-4-12-25-48/h1-39H
InChIKeyUEWRYEPPBDGAGD-UHFFFAOYSA-N
MW826.02 g/mol
LogP15.47
Rot. Bonds7

About 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 166751806) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID166751806
Molecular FormulaC62H39N3
Molecular Weight826.02 g/mol
Exact Mass825.31
IUPAC Name2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc3-4)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C62H39N3/c1-5-16-40(17-6-1)49-26-13-14-27-54(49)61-64-59(44-18-7-2-8-19-44)63-60(65-61)46-33-36-52-51-35-32-45(50-34-30-43-29-28-41-20-15-21-42-31-37-53(50)58(43)57(41)42)38-55(51)62(56(52)39-46,47-22-9-3-10-23-47)48-24-11-4-12-25-48/h1-39H
InChIKeyUEWRYEPPBDGAGD-UHFFFAOYSA-N
XLogP15.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-diphenyl-6-pyren-1-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166751845
2-[9,9-diphenyl-6-(4-pyren-1-ylphenyl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166751908
2-(9,9-dimethyl-7-pyren-1-ylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 166751802
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
2-(9,9-diphenylfluoren-2-yl)-4-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 161426353
2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176632742
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(11,11-dimethylbenzo[a]fluoren-4-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 161010787
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 161043572
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 149015479
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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 166751806) is 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc3-4)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is UEWRYEPPBDGAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c1-5-16-40(17-6-1)49-26-13-14-27-54(49)61-64-59(44-18-7-2-8-19-44)63-60(65-61)46-33-36-52-51-35-32-45(50-34-30-43-29-28-41-20-15-21-42-31-37-53(50)58(43)57(41)42)38-55(51)62(56(52)39-46,47-22-9-3-10-23-47)48-24-11-4-12-25-48/h1-39H.
What are the key properties of 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 826.02 g/mol, XLogP of 15.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166751806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).