N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

C60H41N3 — CID 58028696

IUPACN-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7cccc8ccccc78)n6)cc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C60H41N3/c1-3-13-42(14-4-1)43-25-27-44(28-26-43)46-33-37-52(38-34-46)63(59-24-12-20-49-16-8-10-22-55(49)59)53-39-35-47(36-40-53)45-29-31-51(32-30-45)60-61-57(50-17-5-2-6-18-50)41-58(62-60)56-23-11-19-48-15-7-9-21-54(48)56/h1-41H
InChIKeyBDYRPNSWOMVLTM-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.25
Rot. Bonds9

About N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 58028696) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID58028696
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC NameN-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7cccc8ccccc78)n6)cc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C60H41N3/c1-3-13-42(14-4-1)43-25-27-44(28-26-43)46-33-37-52(38-34-46)63(59-24-12-20-49-16-8-10-22-55(49)59)53-39-35-47(36-40-53)45-29-31-51(32-30-45)60-61-57(50-17-5-2-6-18-50)41-58(62-60)56-23-11-19-48-15-7-9-21-54(48)56/h1-41H
InChIKeyBDYRPNSWOMVLTM-UHFFFAOYSA-N
XLogP16.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166974750
9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 159286250
N-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158110498
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
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
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 58028696) is N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7cccc8ccccc78)n6)cc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is BDYRPNSWOMVLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-3-13-42(14-4-1)43-25-27-44(28-26-43)46-33-37-52(38-34-46)63(59-24-12-20-49-16-8-10-22-55(49)59)53-39-35-47(36-40-53)45-29-31-51(32-30-45)60-61-57(50-17-5-2-6-18-50)41-58(62-60)56-23-11-19-48-15-7-9-21-54(48)56/h1-41H.
What are the key properties of N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 804.01 g/mol, XLogP of 16.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 58028696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).