2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine

C43H28N2O2 — CID 167128770

IUPAC2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4nc(-c5ccccc5)oc4cc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)31-20-24-34(25-21-31)45(35-26-22-32(23-27-35)30-14-6-2-7-15-30)41-40-39(47-43(44-40)33-16-8-3-9-17-33)28-37-36-18-10-11-19-38(36)46-42(37)41/h1-28H
InChIKeyLCWACJQMDKVDAD-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.20
Rot. Bonds6

About 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine

2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine (PubChem CID 167128770) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine.

Molecular Properties

Compound Name2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
PubChem CID167128770
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC Name2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4nc(-c5ccccc5)oc4cc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)31-20-24-34(25-21-31)45(35-26-22-32(23-27-35)30-14-6-2-7-15-30)41-40-39(47-43(44-40)33-16-8-3-9-17-33)28-37-36-18-10-11-19-38(36)46-42(37)41/h1-28H
InChIKeyLCWACJQMDKVDAD-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-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167129857
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 167128841
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline
CID 167129971
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
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
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
N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129776
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
CID 176851605
N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127377
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129154
N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128915
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124784

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The IUPAC name of 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine (CID 167128770) is 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine.
What is the SMILES notation for 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The canonical SMILES for 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4nc(-c5ccccc5)oc4cc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The InChIKey is LCWACJQMDKVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)31-20-24-34(25-21-31)45(35-26-22-32(23-27-35)30-14-6-2-7-15-30)41-40-39(47-43(44-40)33-16-8-3-9-17-33)28-37-36-18-10-11-19-38(36)46-42(37)41/h1-28H.
What are the key properties of 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-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 2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine is sourced from PubChem (CID 167128770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).