2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C60H39N3 — CID 171592300

IUPAC2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(-c4cccc5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C60H39N3/c1-4-19-42(20-5-1)57-61-58(45-32-31-40-17-10-11-21-43(40)35-45)63-59(62-57)48-37-46(36-47(38-48)52-29-16-22-41-18-12-13-27-51(41)52)44-33-34-54-53-28-14-15-30-55(53)60(56(54)39-44,49-23-6-2-7-24-49)50-25-8-3-9-26-50/h1-39H
InChIKeyGCGAVHCBJMZQLY-UHFFFAOYSA-N
MW801.99 g/mol
LogP14.88
Rot. Bonds7

About 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 171592300) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID171592300
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(-c4cccc5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C60H39N3/c1-4-19-42(20-5-1)57-61-58(45-32-31-40-17-10-11-21-43(40)35-45)63-59(62-57)48-37-46(36-47(38-48)52-29-16-22-41-18-12-13-27-51(41)52)44-33-34-54-53-28-14-15-30-55(53)60(56(54)39-44,49-23-6-2-7-24-49)50-25-8-3-9-26-50/h1-39H
InChIKeyGCGAVHCBJMZQLY-UHFFFAOYSA-N
XLogP14.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439388
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 171592063
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-[3-(2-naphthalen-2-yl-9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 137413712
2,4-dinaphthalen-2-yl-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 122416036
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 155465716
2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 176588146

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 171592300) is 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(-c4cccc5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is GCGAVHCBJMZQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-4-19-42(20-5-1)57-61-58(45-32-31-40-17-10-11-21-43(40)35-45)63-59(62-57)48-37-46(36-47(38-48)52-29-16-22-41-18-12-13-27-51(41)52)44-33-34-54-53-28-14-15-30-55(53)60(56(54)39-44,49-23-6-2-7-24-49)50-25-8-3-9-26-50/h1-39H.
What are the key properties of 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 801.99 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171592300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).