N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine

C128H88N4 — CID 158475864

IUPACN,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)c6ccccc56)cccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3cc(-c4ccc(-c5cccc6c(-c7ccc(N(c8ccccc8)c8ccccc8)c8ccccc78)cccc56)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/2C64H44N2/c1-5-21-45(22-6-1)65(46-23-7-2-8-24-46)63-43-41-59(55-31-15-17-33-61(55)63)54-38-20-35-51-52(54)36-19-37-53(51)57-39-40-58(50-30-14-13-29-49(50)57)60-42-44-64(62-34-18-16-32-56(60)62)66(47-25-9-3-10-26-47)48-27-11-4-12-28-48;1-5-19-48(20-6-1)65(49-21-7-2-8-22-49)52-38-37-45-43-47(36-35-46(45)44-52)53-39-40-61(55-28-14-13-27-54(53)55)58-33-17-32-57-56(58)31-18-34-59(57)62-41-42-64(63-30-16-15-29-60(62)63)66(50-23-9-3-10-24-50)51-25-11-4-12-26-51/h2*1-44H
InChIKeyHGXPPTWITBSUTO-UHFFFAOYSA-N
MW1682.14 g/mol
LogP36.48
Rot. Bonds18

About N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine

N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine (PubChem CID 158475864) has the molecular formula C128H88N4 and a molecular weight of 1682.14 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
PubChem CID158475864
Molecular FormulaC128H88N4
Molecular Weight1682.14 g/mol
Exact Mass1680.70
IUPAC NameN,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)c6ccccc56)cccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3cc(-c4ccc(-c5cccc6c(-c7ccc(N(c8ccccc8)c8ccccc8)c8ccccc78)cccc56)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/2C64H44N2/c1-5-21-45(22-6-1)65(46-23-7-2-8-24-46)63-43-41-59(55-31-15-17-33-61(55)63)54-38-20-35-51-52(54)36-19-37-53(51)57-39-40-58(50-30-14-13-29-49(50)57)60-42-44-64(62-34-18-16-32-56(60)62)66(47-25-9-3-10-26-47)48-27-11-4-12-28-48;1-5-19-48(20-6-1)65(49-21-7-2-8-22-49)52-38-37-45-43-47(36-35-46(45)44-52)53-39-40-61(55-28-14-13-27-54(53)55)58-33-17-32-57-56(58)31-18-34-59(57)62-41-42-64(63-30-16-15-29-60(62)63)66(50-23-9-3-10-24-50)51-25-11-4-12-26-51/h2*1-44H
InChIKeyHGXPPTWITBSUTO-UHFFFAOYSA-N
XLogP36.48
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms132
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.14
LogP ≤ 536.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine (CID 158475864) is N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine is c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)c6ccccc56)cccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3cc(-c4ccc(-c5cccc6c(-c7ccc(N(c8ccccc8)c8ccccc8)c8ccccc78)cccc56)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine?
The InChIKey is HGXPPTWITBSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H44N2/c1-5-21-45(22-6-1)65(46-23-7-2-8-24-46)63-43-41-59(55-31-15-17-33-61(55)63)54-38-20-35-51-52(54)36-19-37-53(51)57-39-40-58(50-30-14-13-29-49(50)57)60-42-44-64(62-34-18-16-32-56(60)62)66(47-25-9-3-10-26-47)48-27-11-4-12-28-48;1-5-19-48(20-6-1)65(49-21-7-2-8-22-49)52-38-37-45-43-47(36-35-46(45)44-52)53-39-40-61(55-28-14-13-27-54(53)55)58-33-17-32-57-56(58)31-18-34-59(57)62-41-42-64(63-30-16-15-29-60(62)63)66(50-23-9-3-10-24-50)51-25-11-4-12-26-51/h2*1-44H.
What are the key properties of N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine?
N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine has a molecular weight of 1682.14 g/mol, XLogP of 36.48, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine is sourced from PubChem (CID 158475864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).