N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C70H46N4 — CID 88886994

IUPACN-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)cc3)cc2)cc1
InChIInChI=1S/C70H46N4/c1-5-17-47(18-6-1)49-29-37-56(38-30-49)74(57-39-31-50(32-40-57)48-19-7-2-8-20-48)58-41-33-51(34-42-58)54-35-43-61-59-25-13-15-27-63(59)70(65(61)45-54)64-28-16-14-26-60(64)62-44-36-55(46-66(62)70)69-72-67(52-21-9-3-10-22-52)71-68(73-69)53-23-11-4-12-24-53/h1-46H
InChIKeyWKJQXDAIPRLADL-UHFFFAOYSA-N
MW943.17 g/mol
LogP17.69
Rot. Bonds9

About N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 88886994) has the molecular formula C70H46N4 and a molecular weight of 943.17 g/mol. Its IUPAC name is N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID88886994
Molecular FormulaC70H46N4
Molecular Weight943.17 g/mol
Exact Mass942.37
IUPAC NameN-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)cc3)cc2)cc1
InChIInChI=1S/C70H46N4/c1-5-17-47(18-6-1)49-29-37-56(38-30-49)74(57-39-31-50(32-40-57)48-19-7-2-8-20-48)58-41-33-51(34-42-58)54-35-43-61-59-25-13-15-27-63(59)70(65(61)45-54)64-28-16-14-26-60(64)62-44-36-55(46-66(62)70)69-72-67(52-21-9-3-10-22-52)71-68(73-69)53-23-11-4-12-24-53/h1-46H
InChIKeyWKJQXDAIPRLADL-UHFFFAOYSA-N
XLogP17.69
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.17
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 121340784
7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233363
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
4-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]-N,N-diphenylaniline;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]-N,N-diphenylaniline;N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161181165
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446

Frequently Asked Questions

What is the IUPAC name of N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 88886994) is N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WKJQXDAIPRLADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N4/c1-5-17-47(18-6-1)49-29-37-56(38-30-49)74(57-39-31-50(32-40-57)48-19-7-2-8-20-48)58-41-33-51(34-42-58)54-35-43-61-59-25-13-15-27-63(59)70(65(61)45-54)64-28-16-14-26-60(64)62-44-36-55(46-66(62)70)69-72-67(52-21-9-3-10-22-52)71-68(73-69)53-23-11-4-12-24-53/h1-46H.
What are the key properties of N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 943.17 g/mol, XLogP of 17.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 88886994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).