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

C49H32N2O2 — CID 167129857

IUPACN-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6nc(-c7ccccc7)oc6cc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-28-40(29-25-36)51(39-16-8-3-9-17-39)41-30-26-37(27-31-41)46-47-45(53-49(50-47)38-14-6-2-7-15-38)32-43-42-18-10-11-19-44(42)52-48(43)46/h1-32H
InChIKeyOCKLVKLNZPBLHN-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

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

N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 167129857) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID167129857
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC NameN-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6nc(-c7ccccc7)oc6cc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-28-40(29-25-36)51(39-16-8-3-9-17-39)41-30-26-37(27-31-41)46-47-45(53-49(50-47)38-14-6-2-7-15-38)32-43-42-18-10-11-19-44(42)52-48(43)46/h1-32H
InChIKeyOCKLVKLNZPBLHN-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-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
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128770
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167129252
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
CID 176851605
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128971
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167128306
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-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167128627
10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 170776778

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 167129857) is N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6nc(-c7ccccc7)oc6cc6c5oc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is OCKLVKLNZPBLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-28-40(29-25-36)51(39-16-8-3-9-17-39)41-30-26-37(27-31-41)46-47-45(53-49(50-47)38-14-6-2-7-15-38)32-43-42-18-10-11-19-44(42)52-48(43)46/h1-32H.
What are the key properties of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline?
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline 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-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 167129857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).