bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone

C71H48N10O — CID 58299107

IUPACbis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone
SMILESO=C(c1nc(N(c2ccccc2)c2ccc3ccccc3c2)nc(N(c2ccccc2)c2ccc3ccccc3c2)n1)c1nc(N(c2ccccc2)c2ccc3ccccc3c2)nc(N(c2ccccc2)c2ccc3ccccc3c2)n1
InChIInChI=1S/C71H48N10O/c82-65(66-72-68(78(57-29-5-1-6-30-57)61-41-37-49-21-13-17-25-53(49)45-61)76-69(73-66)79(58-31-7-2-8-32-58)62-42-38-50-22-14-18-26-54(50)46-62)67-74-70(80(59-33-9-3-10-34-59)63-43-39-51-23-15-19-27-55(51)47-63)77-71(75-67)81(60-35-11-4-12-36-60)64-44-40-52-24-16-20-28-56(52)48-64/h1-48H
InChIKeyJNRPCSXONMJONF-UHFFFAOYSA-N
MW1057.23 g/mol
LogP17.78
Rot. Bonds14

About bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone

bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone (PubChem CID 58299107) has the molecular formula C71H48N10O and a molecular weight of 1057.23 g/mol. Its IUPAC name is bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone.

Molecular Properties

Compound Namebis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone
PubChem CID58299107
Molecular FormulaC71H48N10O
Molecular Weight1057.23 g/mol
Exact Mass1056.40
IUPAC Namebis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone
SMILESO=C(c1nc(N(c2ccccc2)c2ccc3ccccc3c2)nc(N(c2ccccc2)c2ccc3ccccc3c2)n1)c1nc(N(c2ccccc2)c2ccc3ccccc3c2)nc(N(c2ccccc2)c2ccc3ccccc3c2)n1
InChIInChI=1S/C71H48N10O/c82-65(66-72-68(78(57-29-5-1-6-30-57)61-41-37-49-21-13-17-25-53(49)45-61)76-69(73-66)79(58-31-7-2-8-32-58)62-42-38-50-22-14-18-26-54(50)46-62)67-74-70(80(59-33-9-3-10-34-59)63-43-39-51-23-15-19-27-55(51)47-63)77-71(75-67)81(60-35-11-4-12-36-60)64-44-40-52-24-16-20-28-56(52)48-64/h1-48H
InChIKeyJNRPCSXONMJONF-UHFFFAOYSA-N
XLogP17.78
TPSA107.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.23
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid
CID 171727559
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
methyl 4-(N-naphthalen-2-ylanilino)benzoate
CID 165349713
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
2-N,5-N-dinaphthalen-2-yl-2-N,5-N-diphenylfuran-2,5-diamine
CID 139844355
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
6-[(E)-1,2-diphenyl-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]-N,N-diphenylnaphthalen-2-amine
CID 58667564

Frequently Asked Questions

What is the IUPAC name of bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone?
The IUPAC name of bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone (CID 58299107) is bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone.
What is the SMILES notation for bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone?
The canonical SMILES for bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone is O=C(c1nc(N(c2ccccc2)c2ccc3ccccc3c2)nc(N(c2ccccc2)c2ccc3ccccc3c2)n1)c1nc(N(c2ccccc2)c2ccc3ccccc3c2)nc(N(c2ccccc2)c2ccc3ccccc3c2)n1.
What is the InChIKey of bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone?
The InChIKey is JNRPCSXONMJONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N10O/c82-65(66-72-68(78(57-29-5-1-6-30-57)61-41-37-49-21-13-17-25-53(49)45-61)76-69(73-66)79(58-31-7-2-8-32-58)62-42-38-50-22-14-18-26-54(50)46-62)67-74-70(80(59-33-9-3-10-34-59)63-43-39-51-23-15-19-27-55(51)47-63)77-71(75-67)81(60-35-11-4-12-36-60)64-44-40-52-24-16-20-28-56(52)48-64/h1-48H.
What are the key properties of bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone?
bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone has a molecular weight of 1057.23 g/mol, XLogP of 17.78, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone is sourced from PubChem (CID 58299107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).