N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine

C61H40N2O — CID 171410589

IUPACN-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3-c3ccccc3)c3ccc(-c4cccc5c4ccc4nc(-c6ccccc6)oc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C61H40N2O/c1-4-16-41(17-5-1)42-30-33-47(34-31-42)63(59-38-32-46(40-56(59)44-18-6-2-7-19-44)49-27-14-23-43-20-10-11-24-48(43)49)58-39-36-52(51-25-12-13-26-54(51)58)50-28-15-29-55-53(50)35-37-57-60(55)64-61(62-57)45-21-8-3-9-22-45/h1-40H
InChIKeyGPTBLJUPRKVXJO-UHFFFAOYSA-N
MW817.00 g/mol
LogP17.09
Rot. Bonds8

About N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine

N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 171410589) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID171410589
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC NameN-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3-c3ccccc3)c3ccc(-c4cccc5c4ccc4nc(-c6ccccc6)oc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C61H40N2O/c1-4-16-41(17-5-1)42-30-33-47(34-31-42)63(59-38-32-46(40-56(59)44-18-6-2-7-19-44)49-27-14-23-43-20-10-11-24-48(43)49)58-39-36-52(51-25-12-13-26-54(51)58)50-28-15-29-55-53(50)35-37-57-60(55)64-61(62-57)45-21-8-3-9-22-45/h1-40H
InChIKeyGPTBLJUPRKVXJO-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

N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine
CID 170425008
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124926
N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
CID 171410300
5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631562
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167127217
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
3-naphthalen-1-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176785675
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(3-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631654

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine (CID 171410589) is N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3-c3ccccc3)c3ccc(-c4cccc5c4ccc4nc(-c6ccccc6)oc45)c4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is GPTBLJUPRKVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-4-16-41(17-5-1)42-30-33-47(34-31-42)63(59-38-32-46(40-56(59)44-18-6-2-7-19-44)49-27-14-23-43-20-10-11-24-48(43)49)58-39-36-52(51-25-12-13-26-54(51)58)50-28-15-29-55-53(50)35-37-57-60(55)64-61(62-57)45-21-8-3-9-22-45/h1-40H.
What are the key properties of N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)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-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 171410589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).