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

C64H43N5 — CID 58233347

IUPACN,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)cc1
InChIInChI=1S/C64H43N5/c1-5-19-47(20-6-1)68(48-21-7-2-8-22-48)51-38-33-44(34-39-51)61-65-62(45-35-40-52(41-36-45)69(49-23-9-3-10-24-49)50-25-11-4-12-26-50)67-63(66-61)46-37-42-56-55-29-15-18-32-59(55)64(60(56)43-46)57-30-16-13-27-53(57)54-28-14-17-31-58(54)64/h1-43H
InChIKeyWSPQKPZHCKFMOG-UHFFFAOYSA-N
MW882.08 g/mol
LogP16.16
Rot. Bonds9

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

N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline (PubChem CID 58233347) has the molecular formula C64H43N5 and a molecular weight of 882.08 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline
PubChem CID58233347
Molecular FormulaC64H43N5
Molecular Weight882.08 g/mol
Exact Mass881.35
IUPAC NameN,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)cc1
InChIInChI=1S/C64H43N5/c1-5-19-47(20-6-1)68(48-21-7-2-8-22-48)51-38-33-44(34-39-51)61-65-62(45-35-40-52(41-36-45)69(49-23-9-3-10-24-49)50-25-11-4-12-26-50)67-63(66-61)46-37-42-56-55-29-15-18-32-59(55)64(60(56)43-46)57-30-16-13-27-53(57)54-28-14-17-31-58(54)64/h1-43H
InChIKeyWSPQKPZHCKFMOG-UHFFFAOYSA-N
XLogP16.16
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.08
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline (CID 58233347) is N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline?
The InChIKey is WSPQKPZHCKFMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N5/c1-5-19-47(20-6-1)68(48-21-7-2-8-22-48)51-38-33-44(34-39-51)61-65-62(45-35-40-52(41-36-45)69(49-23-9-3-10-24-49)50-25-11-4-12-26-50)67-63(66-61)46-37-42-56-55-29-15-18-32-59(55)64(60(56)43-46)57-30-16-13-27-53(57)54-28-14-17-31-58(54)64/h1-43H.
What are the key properties of N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline?
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline has a molecular weight of 882.08 g/mol, XLogP of 16.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 58233347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).