N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine

C38H21N7O3 — CID 170540180

IUPACN-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4cccc5nonc45)c4ccc(-c5cccc6ccccc56)c5nonc45)c4nonc34)ccc2c1
InChIInChI=1S/C38H21N7O3/c1-2-9-24-21-25(16-15-22(24)7-1)27-17-19-32(37-34(27)40-47-43-37)45(31-14-6-13-30-36(31)42-46-39-30)33-20-18-29(35-38(33)44-48-41-35)28-12-5-10-23-8-3-4-11-26(23)28/h1-21H
InChIKeyOOQBBWLRXOLCSK-UHFFFAOYSA-N
MW623.63 g/mol
LogP9.41
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine

N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine (PubChem CID 170540180) has the molecular formula C38H21N7O3 and a molecular weight of 623.63 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine
PubChem CID170540180
Molecular FormulaC38H21N7O3
Molecular Weight623.63 g/mol
Exact Mass623.17
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4cccc5nonc45)c4ccc(-c5cccc6ccccc56)c5nonc45)c4nonc34)ccc2c1
InChIInChI=1S/C38H21N7O3/c1-2-9-24-21-25(16-15-22(24)7-1)27-17-19-32(37-34(27)40-47-43-37)45(31-14-6-13-30-36(31)42-46-39-30)33-20-18-29(35-38(33)44-48-41-35)28-12-5-10-23-8-3-4-11-26(23)28/h1-21H
InChIKeyOOQBBWLRXOLCSK-UHFFFAOYSA-N
XLogP9.41
TPSA120.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.63
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine with MolForge

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Related Compounds

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4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
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2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167234726
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
2-naphthalen-1-ylanthracene
CID 2748705
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167234798
ethane;7-naphthalen-1-yl-N,N-diphenylphenanthren-2-amine;8-naphthalen-1-yl-N,N-diphenylphenanthren-1-amine;4-naphthalen-1-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-phenylnaphthalen-1-amine;5-naphthalen-1-yl-N-(5-naphthalen-1-ylnaphthalen-1-yl)-N-phenylnaphthalen-1-amine;6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 160719608
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 176785622

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine (CID 170540180) is N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine is c1ccc2cc(-c3ccc(N(c4cccc5nonc45)c4ccc(-c5cccc6ccccc56)c5nonc45)c4nonc34)ccc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine?
The InChIKey is OOQBBWLRXOLCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N7O3/c1-2-9-24-21-25(16-15-22(24)7-1)27-17-19-32(37-34(27)40-47-43-37)45(31-14-6-13-30-36(31)42-46-39-30)33-20-18-29(35-38(33)44-48-41-35)28-12-5-10-23-8-3-4-11-26(23)28/h1-21H.
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine?
N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine has a molecular weight of 623.63 g/mol, XLogP of 9.41, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-7-naphthalen-2-yl-N-(7-naphthalen-1-yl-2,1,3-benzoxadiazol-4-yl)-2,1,3-benzoxadiazol-4-amine is sourced from PubChem (CID 170540180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).