N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine

C43H28N2O2 — CID 167129536

IUPACN-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2ccc(-c3nc4cc5oc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)ccc6c5cc4o3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-10-29(11-5-1)31-16-18-33(19-17-31)43-44-39-28-41-38(27-42(39)47-43)37-25-24-36(26-40(37)46-41)45(34-14-8-3-9-15-34)35-22-20-32(21-23-35)30-12-6-2-7-13-30/h1-28H
InChIKeyBFHPFXJXOVIFOR-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.20
Rot. Bonds6

About N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine

N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine (PubChem CID 167129536) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
PubChem CID167129536
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC NameN-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2ccc(-c3nc4cc5oc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)ccc6c5cc4o3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-10-29(11-5-1)31-16-18-33(19-17-31)43-44-39-28-41-38(27-42(39)47-43)37-25-24-36(26-40(37)46-41)45(34-14-8-3-9-15-34)35-22-20-32(21-23-35)30-12-6-2-7-13-30/h1-28H
InChIKeyBFHPFXJXOVIFOR-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

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776770
N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167128103
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128856
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127159
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385
N-(4-naphthalen-1-ylphenyl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167127303
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129750
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]dibenzothiophen-3-amine
CID 167127731
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The IUPAC name of N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine (CID 167129536) is N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The canonical SMILES for N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine is c1ccc(-c2ccc(-c3nc4cc5oc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)ccc6c5cc4o3)cc2)cc1.
What is the InChIKey of N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The InChIKey is BFHPFXJXOVIFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-4-10-29(11-5-1)31-16-18-33(19-17-31)43-44-39-28-41-38(27-42(39)47-43)37-25-24-36(26-40(37)46-41)45(34-14-8-3-9-15-34)35-22-20-32(21-23-35)30-12-6-2-7-13-30/h1-28H.
What are the key properties of N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-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-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine is sourced from PubChem (CID 167129536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).