1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

C72H54N4 — CID 141140268

IUPAC1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
SMILESc1ccc(CN(c2ccc(N(c3ccc(N(c4ccc(N(Cc5ccccc5)c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C72H54N4/c1-3-19-53(20-4-1)51-73(69-35-15-27-55-23-7-11-31-65(55)69)59-39-43-61(44-40-59)75(71-37-17-29-57-25-9-13-33-67(57)71)63-47-49-64(50-48-63)76(72-38-18-30-58-26-10-14-34-68(58)72)62-45-41-60(42-46-62)74(52-54-21-5-2-6-22-54)70-36-16-28-56-24-8-12-32-66(56)70/h1-50H,51-52H2
InChIKeyIJVOPSSYPLTJKV-UHFFFAOYSA-N
MW975.25 g/mol
LogP19.92
Rot. Bonds14

About 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (PubChem CID 141140268) has the molecular formula C72H54N4 and a molecular weight of 975.25 g/mol. Its IUPAC name is 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
PubChem CID141140268
Molecular FormulaC72H54N4
Molecular Weight975.25 g/mol
Exact Mass974.43
IUPAC Name1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
SMILESc1ccc(CN(c2ccc(N(c3ccc(N(c4ccc(N(Cc5ccccc5)c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C72H54N4/c1-3-19-53(20-4-1)51-73(69-35-15-27-55-23-7-11-31-65(55)69)59-39-43-61(44-40-59)75(71-37-17-29-57-25-9-13-33-67(57)71)63-47-49-64(50-48-63)76(72-38-18-30-58-26-10-14-34-68(58)72)62-45-41-60(42-46-62)74(52-54-21-5-2-6-22-54)70-36-16-28-56-24-8-12-32-66(56)70/h1-50H,51-52H2
InChIKeyIJVOPSSYPLTJKV-UHFFFAOYSA-N
XLogP19.92
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.25
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (CID 141140268) is 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is c1ccc(CN(c2ccc(N(c3ccc(N(c4ccc(N(Cc5ccccc5)c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The InChIKey is IJVOPSSYPLTJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4/c1-3-19-53(20-4-1)51-73(69-35-15-27-55-23-7-11-31-65(55)69)59-39-43-61(44-40-59)75(71-37-17-29-57-25-9-13-33-67(57)71)63-47-49-64(50-48-63)76(72-38-18-30-58-26-10-14-34-68(58)72)62-45-41-60(42-46-62)74(52-54-21-5-2-6-22-54)70-36-16-28-56-24-8-12-32-66(56)70/h1-50H,51-52H2.
What are the key properties of 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine has a molecular weight of 975.25 g/mol, XLogP of 19.92, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is sourced from PubChem (CID 141140268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).