3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine

C61H43N5 — CID 156546768

IUPAC3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C61H43N5/c1-6-19-44(20-7-1)46-35-39-54(40-36-46)65(52-27-12-4-13-28-52)56-31-18-32-57(58(56)51-34-33-45-21-16-17-26-50(45)43-51)66(53-29-14-5-15-30-53)55-41-37-49(38-42-55)61-63-59(47-22-8-2-9-23-47)62-60(64-61)48-24-10-3-11-25-48/h1-43H
InChIKeyKCDXXWNQKYWFDR-UHFFFAOYSA-N
MW846.05 g/mol
LogP16.30
Rot. Bonds11

About 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 156546768) has the molecular formula C61H43N5 and a molecular weight of 846.05 g/mol. Its IUPAC name is 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID156546768
Molecular FormulaC61H43N5
Molecular Weight846.05 g/mol
Exact Mass845.35
IUPAC Name3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C61H43N5/c1-6-19-44(20-7-1)46-35-39-54(40-36-46)65(52-27-12-4-13-28-52)56-31-18-32-57(58(56)51-34-33-45-21-16-17-26-50(45)43-51)66(53-29-14-5-15-30-53)55-41-37-49(38-42-55)61-63-59(47-22-8-2-9-23-47)62-60(64-61)48-24-10-3-11-25-48/h1-43H
InChIKeyKCDXXWNQKYWFDR-UHFFFAOYSA-N
XLogP16.30
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.05
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588172
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789545
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 156546768) is 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is KCDXXWNQKYWFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N5/c1-6-19-44(20-7-1)46-35-39-54(40-36-46)65(52-27-12-4-13-28-52)56-31-18-32-57(58(56)51-34-33-45-21-16-17-26-50(45)43-51)66(53-29-14-5-15-30-53)55-41-37-49(38-42-55)61-63-59(47-22-8-2-9-23-47)62-60(64-61)48-24-10-3-11-25-48/h1-43H.
What are the key properties of 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 846.05 g/mol, XLogP of 16.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 156546768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).