1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine

C84H58N8 — CID 58612735

IUPAC1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine
SMILESc1cnc(-c2cccc(N(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(N(c7cccc(-c8ncccn8)c7)c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)c2)nc1
InChIInChI=1S/C84H58N8/c1-5-29-75-61(17-1)21-11-33-79(75)89(69-45-49-71(50-46-69)91(81-35-13-23-63-19-3-7-31-77(63)81)73-27-9-25-65(57-73)83-85-53-15-54-86-83)67-41-37-59(38-42-67)60-39-43-68(44-40-60)90(80-34-12-22-62-18-2-6-30-76(62)80)70-47-51-72(52-48-70)92(82-36-14-24-64-20-4-8-32-78(64)82)74-28-10-26-66(58-74)84-87-55-16-56-88-84/h1-58H
InChIKeyRLVFLXCHRSFWKA-UHFFFAOYSA-N
MW1179.44 g/mol
LogP22.76
Rot. Bonds15

About 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine

1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine (PubChem CID 58612735) has the molecular formula C84H58N8 and a molecular weight of 1179.44 g/mol. Its IUPAC name is 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine
PubChem CID58612735
Molecular FormulaC84H58N8
Molecular Weight1179.44 g/mol
Exact Mass1178.48
IUPAC Name1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine
SMILESc1cnc(-c2cccc(N(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(N(c7cccc(-c8ncccn8)c7)c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)c2)nc1
InChIInChI=1S/C84H58N8/c1-5-29-75-61(17-1)21-11-33-79(75)89(69-45-49-71(50-46-69)91(81-35-13-23-63-19-3-7-31-77(63)81)73-27-9-25-65(57-73)83-85-53-15-54-86-83)67-41-37-59(38-42-67)60-39-43-68(44-40-60)90(80-34-12-22-62-18-2-6-30-76(62)80)70-47-51-72(52-48-70)92(82-36-14-24-64-20-4-8-32-78(64)82)74-28-10-26-66(58-74)84-87-55-16-56-88-84/h1-58H
InChIKeyRLVFLXCHRSFWKA-UHFFFAOYSA-N
XLogP22.76
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.44
LogP ≤ 522.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
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-[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
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
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-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine (CID 58612735) is 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine is c1cnc(-c2cccc(N(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(N(c7cccc(-c8ncccn8)c7)c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)c2)nc1.
What is the InChIKey of 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine?
The InChIKey is RLVFLXCHRSFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N8/c1-5-29-75-61(17-1)21-11-33-79(75)89(69-45-49-71(50-46-69)91(81-35-13-23-63-19-3-7-31-77(63)81)73-27-9-25-65(57-73)83-85-53-15-54-86-83)67-41-37-59(38-42-67)60-39-43-68(44-40-60)90(80-34-12-22-62-18-2-6-30-76(62)80)70-47-51-72(52-48-70)92(82-36-14-24-64-20-4-8-32-78(64)82)74-28-10-26-66(58-74)84-87-55-16-56-88-84/h1-58H.
What are the key properties of 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine?
1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine has a molecular weight of 1179.44 g/mol, XLogP of 22.76, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 58612735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).