N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine

C51H34N2O — CID 170424937

IUPACN-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4c(cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc(-c6ccccc6)c5)c5ccccc54)o3)cc2)cc1
InChIInChI=1S/C51H34N2O/c1-3-12-35(13-4-1)38-22-25-40(26-23-38)51-52-50-47-21-10-9-20-46(47)48(34-49(50)54-51)53(45-19-11-18-42(33-45)36-14-5-2-6-15-36)44-30-28-39(29-31-44)43-27-24-37-16-7-8-17-41(37)32-43/h1-34H
InChIKeyBVQJZTQTTRLQHG-UHFFFAOYSA-N
MW690.85 g/mol
LogP14.27
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine

N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine (PubChem CID 170424937) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
PubChem CID170424937
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4c(cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc(-c6ccccc6)c5)c5ccccc54)o3)cc2)cc1
InChIInChI=1S/C51H34N2O/c1-3-12-35(13-4-1)38-22-25-40(26-23-38)51-52-50-47-21-10-9-20-46(47)48(34-49(50)54-51)53(45-19-11-18-42(33-45)36-14-5-2-6-15-36)44-30-28-39(29-31-44)43-27-24-37-16-7-8-17-41(37)32-43/h1-34H
InChIKeyBVQJZTQTTRLQHG-UHFFFAOYSA-N
XLogP14.27
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 514.27
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)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine
CID 170424938
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 171410602
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135
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-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
CID 176785495
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
CID 167123306
N-(3-naphthalen-2-ylphenyl)-5-phenyl-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-17-amine
CID 176631307
N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine
CID 174293841
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline
CID 167129971

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine (CID 170424937) is N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine is c1ccc(-c2ccc(-c3nc4c(cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc(-c6ccccc6)c5)c5ccccc54)o3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine?
The InChIKey is BVQJZTQTTRLQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-3-12-35(13-4-1)38-22-25-40(26-23-38)51-52-50-47-21-10-9-20-46(47)48(34-49(50)54-51)53(45-19-11-18-42(33-45)36-14-5-2-6-15-36)44-30-28-39(29-31-44)43-27-24-37-16-7-8-17-41(37)32-43/h1-34H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine?
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine has a molecular weight of 690.85 g/mol, XLogP of 14.27, 7 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-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine is sourced from PubChem (CID 170424937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).