N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine

C36H25N5 — CID 58704310

IUPACN,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine
SMILESc1cc(N(c2cccc(-n3cc4ccccc4n3)c2)c2cccc3ccccc23)cc(-n2cc3ccccc3n2)c1
InChIInChI=1S/C36H25N5/c1-4-18-33-26(10-1)13-7-21-36(33)41(31-16-8-14-29(22-31)39-24-27-11-2-5-19-34(27)37-39)32-17-9-15-30(23-32)40-25-28-12-3-6-20-35(28)38-40/h1-25H
InChIKeyNMQZYMLMAFBFCC-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.99
Rot. Bonds5

About N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine

N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine (PubChem CID 58704310) has the molecular formula C36H25N5 and a molecular weight of 527.63 g/mol. Its IUPAC name is N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine
PubChem CID58704310
Molecular FormulaC36H25N5
Molecular Weight527.63 g/mol
Exact Mass527.21
IUPAC NameN,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine
SMILESc1cc(N(c2cccc(-n3cc4ccccc4n3)c2)c2cccc3ccccc23)cc(-n2cc3ccccc3n2)c1
InChIInChI=1S/C36H25N5/c1-4-18-33-26(10-1)13-7-21-36(33)41(31-16-8-14-29(22-31)39-24-27-11-2-5-19-34(27)37-39)32-17-9-15-30(23-32)40-25-28-12-3-6-20-35(28)38-40/h1-25H
InChIKeyNMQZYMLMAFBFCC-UHFFFAOYSA-N
XLogP8.99
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazole
CID 3656058
(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole
CID 90673957
3-(1,3-Diphenyl-1H-pyrazol-5-yl)-1-methyl-1H-indole
CID 631618
(1e,2e)-1,2-Bis((1,3-diphenyl-1h-pyrazol-4-yl)methylene)hydrazine
CID 10648840
1-Phenylphenanthro[9,10-d]pyrazole
CID 15471679
1-Tritylindazole
CID 13523643
3-Phenylbenz[e]indazole
CID 21044936
2-Naphthalen-2-ylindazole
CID 72197238
2-(1-Naphthalenyl)-2H-indazole
CID 72567193
2-(3,4-Dimethylphenyl)indazole
CID 135041942
4-[2-(1,3-Dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole
CID 11518071
3-(Trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole
CID 58947707

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine?
The IUPAC name of N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine (CID 58704310) is N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine is c1cc(N(c2cccc(-n3cc4ccccc4n3)c2)c2cccc3ccccc23)cc(-n2cc3ccccc3n2)c1.
What is the InChIKey of N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine?
The InChIKey is NMQZYMLMAFBFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5/c1-4-18-33-26(10-1)13-7-21-36(33)41(31-16-8-14-29(22-31)39-24-27-11-2-5-19-34(27)37-39)32-17-9-15-30(23-32)40-25-28-12-3-6-20-35(28)38-40/h1-25H.
What are the key properties of N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine?
N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine has a molecular weight of 527.63 g/mol, XLogP of 8.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-indazol-2-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 58704310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).