N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C90H64N4 — CID 58713806

IUPACN-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C90H64N4/c1-4-19-65(20-5-1)66-37-51-78(52-38-66)91(79-53-39-67(40-54-79)69-43-57-81(58-44-69)92(76-27-6-2-7-28-76)88-34-16-24-73-21-10-13-31-85(73)88)80-55-41-68(42-56-80)70-47-61-83(62-48-70)94(90-36-18-26-75-23-12-15-33-87(75)90)84-63-49-72(50-64-84)71-45-59-82(60-46-71)93(77-29-8-3-9-30-77)89-35-17-25-74-22-11-14-32-86(74)89/h1-64H
InChIKeyXFUANYWEKGWQPD-UHFFFAOYSA-N
MW1201.53 g/mol
LogP25.69
Rot. Bonds16

About N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 58713806) has the molecular formula C90H64N4 and a molecular weight of 1201.53 g/mol. Its IUPAC name is N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID58713806
Molecular FormulaC90H64N4
Molecular Weight1201.53 g/mol
Exact Mass1200.51
IUPAC NameN-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C90H64N4/c1-4-19-65(20-5-1)66-37-51-78(52-38-66)91(79-53-39-67(40-54-79)69-43-57-81(58-44-69)92(76-27-6-2-7-28-76)88-34-16-24-73-21-10-13-31-85(73)88)80-55-41-68(42-56-80)70-47-61-83(62-48-70)94(90-36-18-26-75-23-12-15-33-87(75)90)84-63-49-72(50-64-84)71-45-59-82(60-46-71)93(77-29-8-3-9-30-77)89-35-17-25-74-22-11-14-32-86(74)89/h1-64H
InChIKeyXFUANYWEKGWQPD-UHFFFAOYSA-N
XLogP25.69
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms94
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.53
LogP ≤ 525.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 58713806) is N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is XFUANYWEKGWQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H64N4/c1-4-19-65(20-5-1)66-37-51-78(52-38-66)91(79-53-39-67(40-54-79)69-43-57-81(58-44-69)92(76-27-6-2-7-28-76)88-34-16-24-73-21-10-13-31-85(73)88)80-55-41-68(42-56-80)70-47-61-83(62-48-70)94(90-36-18-26-75-23-12-15-33-87(75)90)84-63-49-72(50-64-84)71-45-59-82(60-46-71)93(77-29-8-3-9-30-77)89-35-17-25-74-22-11-14-32-86(74)89/h1-64H.
What are the key properties of N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 1201.53 g/mol, XLogP of 25.69, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 58713806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).