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

C43H28N2O2 — CID 167129776

IUPACN,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-13-29(14-5-1)30-23-25-31(26-24-30)33-17-12-20-35(27-33)45(34-18-8-3-9-19-34)42-40-36-21-10-11-22-37(36)46-38(40)28-39-41(42)44-43(47-39)32-15-6-2-7-16-32/h1-28H
InChIKeyUTQUKSJPCGTNEA-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.20
Rot. Bonds6

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

N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine (PubChem CID 167129776) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine.

Molecular Properties

Compound NameN,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
PubChem CID167129776
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC NameN,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-13-29(14-5-1)30-23-25-31(26-24-30)33-17-12-20-35(27-33)45(34-18-8-3-9-19-34)42-40-36-21-10-11-22-37(36)46-38(40)28-39-41(42)44-43(47-39)32-15-6-2-7-16-32/h1-28H
InChIKeyUTQUKSJPCGTNEA-UHFFFAOYSA-N
XLogP12.20
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine with MolForge

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167127574
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129154
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167128627
N-phenanthren-9-yl-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167128377
4-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-7-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine
CID 170248015
7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine
CID 170247915
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128770
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 167128841
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167127147
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]aniline
CID 167128625
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129070
4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247586

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine?
The IUPAC name of N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine (CID 167129776) is N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine.
What is the SMILES notation for N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine?
The canonical SMILES for N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine?
The InChIKey is UTQUKSJPCGTNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-4-13-29(14-5-1)30-23-25-31(26-24-30)33-17-12-20-35(27-33)45(34-18-8-3-9-19-34)42-40-36-21-10-11-22-37(36)46-38(40)28-39-41(42)44-43(47-39)32-15-6-2-7-16-32/h1-28H.
What are the key properties of N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine?
N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine has a molecular weight of 604.71 g/mol, XLogP of 12.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine is sourced from PubChem (CID 167129776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).