N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine

C61H40N2O — CID 170424938

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3nc4c(ccc5cc(-c6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc7c6)ccc54)o3)cc2)cc1
InChIInChI=1S/C61H40N2O/c1-3-11-41(12-4-1)44-19-22-47(23-20-44)61-62-60-57-35-29-50(38-52(57)30-36-59(60)64-61)53-39-51-17-9-10-18-56(51)58(40-53)63(54-31-25-45(26-32-54)42-13-5-2-6-14-42)55-33-27-46(28-34-55)49-24-21-43-15-7-8-16-48(43)37-49/h1-40H
InChIKeySIWAOMWJQQOJBG-UHFFFAOYSA-N
MW817.00 g/mol
LogP17.09
Rot. Bonds8

About N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine (PubChem CID 170424938) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine
PubChem CID170424938
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3nc4c(ccc5cc(-c6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc7c6)ccc54)o3)cc2)cc1
InChIInChI=1S/C61H40N2O/c1-3-11-41(12-4-1)44-19-22-47(23-20-44)61-62-60-57-35-29-50(38-52(57)30-36-59(60)64-61)53-39-51-17-9-10-18-56(51)58(40-53)63(54-31-25-45(26-32-54)42-13-5-2-6-14-42)55-33-27-46(28-34-55)49-24-21-43-15-7-8-16-48(43)37-49/h1-40H
InChIKeySIWAOMWJQQOJBG-UHFFFAOYSA-N
XLogP17.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine
CID 170247986
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 170776899
N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 171410290
N,4-diphenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-8-yl)phenyl]aniline
CID 170026606
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline
CID 159412257
N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
CID 171724750
N-naphthalen-1-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112477
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 176785731

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine (CID 170424938) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine is c1ccc(-c2ccc(-c3nc4c(ccc5cc(-c6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc7c6)ccc54)o3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine?
The InChIKey is SIWAOMWJQQOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-3-11-41(12-4-1)44-19-22-47(23-20-44)61-62-60-57-35-29-50(38-52(57)30-36-59(60)64-61)53-39-51-17-9-10-18-56(51)58(40-53)63(54-31-25-45(26-32-54)42-13-5-2-6-14-42)55-33-27-46(28-34-55)49-24-21-43-15-7-8-16-48(43)37-49/h1-40H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine has a molecular weight of 817.00 g/mol, XLogP of 17.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine is sourced from PubChem (CID 170424938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).