N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline

C119H84N4 — CID 163547674

IUPACN-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline
SMILESC(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.C(=C/c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C65H46N2.C54H38N2/c1-5-17-51(18-6-1)66(52-19-7-2-8-20-52)55-39-33-47(34-40-55)29-31-49-37-43-59-57-25-13-15-27-61(57)65(63(59)45-49)62-28-16-14-26-58(62)60-44-38-50(46-64(60)65)32-30-48-35-41-56(42-36-48)67(53-21-9-3-10-22-53)54-23-11-4-12-24-54;1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54/h1-46H;1-38H/b31-29+,32-30+;18-17+
InChIKeyFGKUOMNQTPKGMD-GQPTTWHLSA-N
MW1570.01 g/mol
LogP32.72
Rot. Bonds18

About N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline

N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline (PubChem CID 163547674) has the molecular formula C119H84N4 and a molecular weight of 1570.01 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline
PubChem CID163547674
Molecular FormulaC119H84N4
Molecular Weight1570.01 g/mol
Exact Mass1568.67
IUPAC NameN-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline
SMILESC(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.C(=C/c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C65H46N2.C54H38N2/c1-5-17-51(18-6-1)66(52-19-7-2-8-20-52)55-39-33-47(34-40-55)29-31-49-37-43-59-57-25-13-15-27-61(57)65(63(59)45-49)62-28-16-14-26-58(62)60-44-38-50(46-64(60)65)32-30-48-35-41-56(42-36-48)67(53-21-9-3-10-22-53)54-23-11-4-12-24-54;1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54/h1-46H;1-38H/b31-29+,32-30+;18-17+
InChIKeyFGKUOMNQTPKGMD-GQPTTWHLSA-N
XLogP32.72
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms123
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001570.01
LogP ≤ 532.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline?
The IUPAC name of N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline (CID 163547674) is N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline.
What is the SMILES notation for N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline?
The canonical SMILES for N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline is C(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.C(=C/c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline?
The InChIKey is FGKUOMNQTPKGMD-GQPTTWHLSA-N. The full InChI is InChI=1S/C65H46N2.C54H38N2/c1-5-17-51(18-6-1)66(52-19-7-2-8-20-52)55-39-33-47(34-40-55)29-31-49-37-43-59-57-25-13-15-27-61(57)65(63(59)45-49)62-28-16-14-26-58(62)60-44-38-50(46-64(60)65)32-30-48-35-41-56(42-36-48)67(53-21-9-3-10-22-53)54-23-11-4-12-24-54;1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54/h1-46H;1-38H/b31-29+,32-30+;18-17+.
What are the key properties of N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline?
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline has a molecular weight of 1570.01 g/mol, XLogP of 32.72, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline is sourced from PubChem (CID 163547674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).