N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline

C43H28N2O2 — CID 176851605

IUPACN,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5nc(-c6ccccc6)oc45)cc3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)30-20-24-34(25-21-30)45(33-16-8-3-9-17-33)35-26-22-31(23-27-35)37-28-38-36-18-10-11-19-39(36)46-42(38)40-41(37)47-43(44-40)32-14-6-2-7-15-32/h1-28H
InChIKeyHATVWGKONDZBBR-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.20
Rot. Bonds6

About N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline

N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline (PubChem CID 176851605) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
PubChem CID176851605
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC NameN,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5nc(-c6ccccc6)oc45)cc3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)30-20-24-34(25-21-30)45(33-16-8-3-9-17-33)35-26-22-31(23-27-35)37-28-38-36-18-10-11-19-39(36)46-42(38)40-41(37)47-43(44-40)32-14-6-2-7-15-32/h1-28H
InChIKeyHATVWGKONDZBBR-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-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167129857
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 176785778
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123804
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 167128841
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128770
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
CID 176785610
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177089709
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-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157330608
N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 171754798

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline (CID 176851605) is N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5nc(-c6ccccc6)oc45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline?
The InChIKey is HATVWGKONDZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)30-20-24-34(25-21-30)45(33-16-8-3-9-17-33)35-26-22-31(23-27-35)37-28-38-36-18-10-11-19-39(36)46-42(38)40-41(37)47-43(44-40)32-14-6-2-7-15-32/h1-28H.
What are the key properties of N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline 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,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline is sourced from PubChem (CID 176851605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).