1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine

C76H60N4 — CID 59025076

About 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine

1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine (PubChem CID 59025076) has the molecular formula C76H60N4 and a molecular weight of 1029.34 g/mol. Its IUPAC name is 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
• PubChem CID: 59025076
• Molecular Formula: C76H60N4
• Molecular Weight: 1029.34 g/mol
• Exact Mass: 1028.48
• IUPAC Name: 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
• SMILES: c1ccc(N(c2ccc(-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cccc5ccccc45)cc3)cc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C76H60N4/c1-6-23-59(24-7-1)77(60-25-8-2-9-26-60)64-47-49-68(50-48-64)80(75-34-20-22-58-21-14-15-31-70(58)75)67-41-37-57(38-42-67)56-35-39-63(40-36-56)78(61-27-10-3-11-28-61)65-43-45-66(46-44-65)79(62-29-12-4-13-30-62)69-51-52-72-71-32-16-17-33-73(71)76(74(72)55-69)53-18-5-19-54-76/h1-4,6-17,20-52,55H,5,18-19,53-54H2
• InChIKey: FLMWPERNSSZBIL-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.34
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine?

The IUPAC name of 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine (CID 59025076) is 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine.

What is the SMILES notation for 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine?

The canonical SMILES for 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine is c1ccc(N(c2ccc(-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cccc5ccccc45)cc3)cc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)cc1.

What is the InChIKey of 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine?

The InChIKey is FLMWPERNSSZBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N4/c1-6-23-59(24-7-1)77(60-25-8-2-9-26-60)64-47-49-68(50-48-64)80(75-34-20-22-58-21-14-15-31-70(58)75)67-41-37-57(38-42-67)56-35-39-63(40-36-56)78(61-27-10-3-11-28-61)65-43-45-66(46-44-65)79(62-29-12-4-13-30-62)69-51-52-72-71-32-16-17-33-73(71)76(74(72)55-69)53-18-5-19-54-76/h1-4,6-17,20-52,55H,5,18-19,53-54H2.

What are the key properties of 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine?

1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine has a molecular weight of 1029.34 g/mol, XLogP of 21.62, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine is sourced from PubChem (CID 59025076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).