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

C36H25N5 — CID 58704141

IUPACN,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine
SMILESc1cc(N(c2cccc(-n3cc4ccccc4n3)c2)c2ccc3ccccc3c2)cc(-n2cc3ccccc3n2)c1
InChIInChI=1S/C36H25N5/c1-2-10-27-21-34(20-19-26(27)9-1)41(32-15-7-13-30(22-32)39-24-28-11-3-5-17-35(28)37-39)33-16-8-14-31(23-33)40-25-29-12-4-6-18-36(29)38-40/h1-25H
InChIKeyZVNVERRFFIBDJG-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.99
Rot. Bonds5

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

N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine (PubChem CID 58704141) 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-2-amine.

Molecular Properties

Compound NameN,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine
PubChem CID58704141
Molecular FormulaC36H25N5
Molecular Weight527.63 g/mol
Exact Mass527.21
IUPAC NameN,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine
SMILESc1cc(N(c2cccc(-n3cc4ccccc4n3)c2)c2ccc3ccccc3c2)cc(-n2cc3ccccc3n2)c1
InChIInChI=1S/C36H25N5/c1-2-10-27-21-34(20-19-26(27)9-1)41(32-15-7-13-30(22-32)39-24-28-11-3-5-17-35(28)37-39)33-16-8-14-31(23-33)40-25-29-12-4-6-18-36(29)38-40/h1-25H
InChIKeyZVNVERRFFIBDJG-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

6-[[6-(1-Methylpyrazol-4-yl)indazol-1-yl]methyl]quinoline
CID 71739682
4-[4-(1-Methylindazol-6-yl)piperazin-1-yl]isoquinoline
CID 155524325
4-[4-(2-Methylindazol-6-yl)piperazin-1-yl]isoquinoline
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US11787780, Example 20
CID 166917319
5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazole
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6-[[6-(1-Methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline
CID 71739813
(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
1-Phenylphenanthro[9,10-d]pyrazole
CID 15471679
3-Phenylbenz[e]indazole
CID 21044936
2-Naphthalen-2-ylindazole
CID 72197238
2-(1-Naphthalenyl)-2H-indazole
CID 72567193

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine?
The IUPAC name of N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine (CID 58704141) is N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine is c1cc(N(c2cccc(-n3cc4ccccc4n3)c2)c2ccc3ccccc3c2)cc(-n2cc3ccccc3n2)c1.
What is the InChIKey of N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine?
The InChIKey is ZVNVERRFFIBDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5/c1-2-10-27-21-34(20-19-26(27)9-1)41(32-15-7-13-30(22-32)39-24-28-11-3-5-17-35(28)37-39)33-16-8-14-31(23-33)40-25-29-12-4-6-18-36(29)38-40/h1-25H.
What are the key properties of N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-amine?
N,N-bis(3-indazol-2-ylphenyl)naphthalen-2-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-2-amine is sourced from PubChem (CID 58704141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).