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

C58H39N3O — CID 134569779

IUPAC2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C58H39N3O/c1-5-16-43(17-6-1)55-59-56(44-18-7-2-8-19-44)61-57(60-55)45-30-28-40(29-31-45)41-32-36-48(37-33-41)62-49-38-34-42(35-39-49)50-25-15-27-53-54(50)51-24-13-14-26-52(51)58(53,46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-39H
InChIKeyLGTCXUUAUDDHDN-UHFFFAOYSA-N
MW793.97 g/mol
LogP14.36
Rot. Bonds9

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

2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 134569779) has the molecular formula C58H39N3O and a molecular weight of 793.97 g/mol. Its IUPAC name is 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID134569779
Molecular FormulaC58H39N3O
Molecular Weight793.97 g/mol
Exact Mass793.31
IUPAC Name2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C58H39N3O/c1-5-16-43(17-6-1)55-59-56(44-18-7-2-8-19-44)61-57(60-55)45-30-28-40(29-31-45)41-32-36-48(37-33-41)62-49-38-34-42(35-39-49)50-25-15-27-53-54(50)51-24-13-14-26-52(51)58(53,46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-39H
InChIKeyLGTCXUUAUDDHDN-UHFFFAOYSA-N
XLogP14.36
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 134569830
2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 146505773
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
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153302560
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine
CID 170441826
2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765168
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 134569779) is 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LGTCXUUAUDDHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3O/c1-5-16-43(17-6-1)55-59-56(44-18-7-2-8-19-44)61-57(60-55)45-30-28-40(29-31-45)41-32-36-48(37-33-41)62-49-38-34-42(35-39-49)50-25-15-27-53-54(50)51-24-13-14-26-52(51)58(53,46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-39H.
What are the key properties of 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 793.97 g/mol, XLogP of 14.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134569779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).