N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C100H66N2 — CID 137392263

IUPACN-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C100H66N2/c1-2-35-80(36-3-1)101(98-49-20-33-73-27-8-14-41-91(73)98)81-55-51-67(52-56-81)68-53-57-82(58-54-68)102(99-50-21-34-74-28-9-15-42-92(74)99)83-65-76(75-61-77(88-43-16-29-69-23-4-10-37-84(69)88)64-78(62-75)89-44-17-30-70-24-5-11-38-85(70)89)63-79(66-83)90-59-60-97(94-46-19-32-72-26-7-13-40-87(72)94)100-95(90)47-22-48-96(100)93-45-18-31-71-25-6-12-39-86(71)93/h1-66H
InChIKeyBKOPAVNOULMACT-UHFFFAOYSA-N
MW1295.64 g/mol
LogP28.37
Rot. Bonds13

About N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 137392263) has the molecular formula C100H66N2 and a molecular weight of 1295.64 g/mol. Its IUPAC name is N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID137392263
Molecular FormulaC100H66N2
Molecular Weight1295.64 g/mol
Exact Mass1294.52
IUPAC NameN-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C100H66N2/c1-2-35-80(36-3-1)101(98-49-20-33-73-27-8-14-41-91(73)98)81-55-51-67(52-56-81)68-53-57-82(58-54-68)102(99-50-21-34-74-28-9-15-42-92(74)99)83-65-76(75-61-77(88-43-16-29-69-23-4-10-37-84(69)88)64-78(62-75)89-44-17-30-70-24-5-11-38-85(70)89)63-79(66-83)90-59-60-97(94-46-19-32-72-26-7-13-40-87(72)94)100-95(90)47-22-48-96(100)93-45-18-31-71-25-6-12-39-86(71)93/h1-66H
InChIKeyBKOPAVNOULMACT-UHFFFAOYSA-N
XLogP28.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.64
LogP ≤ 528.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59861292
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 69120813
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
CID 118312599
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 159204895
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 137392263) is N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(N(c4cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is BKOPAVNOULMACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H66N2/c1-2-35-80(36-3-1)101(98-49-20-33-73-27-8-14-41-91(73)98)81-55-51-67(52-56-81)68-53-57-82(58-54-68)102(99-50-21-34-74-28-9-15-42-92(74)99)83-65-76(75-61-77(88-43-16-29-69-23-4-10-37-84(69)88)64-78(62-75)89-44-17-30-70-24-5-11-38-85(70)89)63-79(66-83)90-59-60-97(94-46-19-32-72-26-7-13-40-87(72)94)100-95(90)47-22-48-96(100)93-45-18-31-71-25-6-12-39-86(71)93/h1-66H.
What are the key properties of N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 1295.64 g/mol, XLogP of 28.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 137392263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).