N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine

C49H32N2O2 — CID 167127715

IUPACN-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cccc4c3oc3cc5nc(-c6ccccc6)oc5cc34)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-5-14-33(15-6-1)34-24-26-38(27-25-34)51(39-28-29-40(35-16-7-2-8-17-35)42(30-39)36-18-9-3-10-19-36)45-23-13-22-41-43-31-47-44(32-46(43)52-48(41)45)50-49(53-47)37-20-11-4-12-21-37/h1-32H
InChIKeyUAZXCFDEPKGHQG-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

About N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine

N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine (PubChem CID 167127715) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
PubChem CID167127715
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC NameN-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cccc4c3oc3cc5nc(-c6ccccc6)oc5cc34)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-5-14-33(15-6-1)34-24-26-38(27-25-34)51(39-28-29-40(35-16-7-2-8-17-35)42(30-39)36-18-9-3-10-19-36)45-23-13-22-41-43-31-47-44(32-46(43)52-48(41)45)50-49(53-47)37-20-11-4-12-21-37/h1-32H
InChIKeyUAZXCFDEPKGHQG-UHFFFAOYSA-N
XLogP13.86
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127280
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]-N-(2-phenylphenyl)phenanthren-2-amine
CID 167127169
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167127217
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
CID 167123003
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128856
N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167128220
N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128817
9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 167128842
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 167127255
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128133
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)phenanthren-3-amine
CID 167129332

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine (CID 167127715) is N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cccc4c3oc3cc5nc(-c6ccccc6)oc5cc34)cc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine?
The InChIKey is UAZXCFDEPKGHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-5-14-33(15-6-1)34-24-26-38(27-25-34)51(39-28-29-40(35-16-7-2-8-17-35)42(30-39)36-18-9-3-10-19-36)45-23-13-22-41-43-31-47-44(32-46(43)52-48(41)45)50-49(53-47)37-20-11-4-12-21-37/h1-32H.
What are the key properties of N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine?
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine has a molecular weight of 680.81 g/mol, XLogP of 13.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167127715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).