5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine

C35H22N2O2 — CID 171755349

IUPAC5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c4ccccc4c(-c4nc5ccccc5o4)cc32)cc1
InChIInChI=1S/C35H22N2O2/c1-3-11-23(12-4-1)37(24-13-5-2-6-14-24)25-19-20-27-29-22-30(35-36-31-17-9-10-18-32(31)39-35)26-15-7-8-16-28(26)34(29)38-33(27)21-25/h1-22H
InChIKeyZAUDLIINGQIDLC-UHFFFAOYSA-N
MW502.57 g/mol
LogP10.02
Rot. Bonds4

About 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine

5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 171755349) has the molecular formula C35H22N2O2 and a molecular weight of 502.57 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID171755349
Molecular FormulaC35H22N2O2
Molecular Weight502.57 g/mol
Exact Mass502.17
IUPAC Name5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c4ccccc4c(-c4nc5ccccc5o4)cc32)cc1
InChIInChI=1S/C35H22N2O2/c1-3-11-23(12-4-1)37(24-13-5-2-6-14-24)25-19-20-27-29-22-30(35-36-31-17-9-10-18-32(31)39-35)26-15-7-8-16-28(26)34(29)38-33(27)21-25/h1-22H
InChIKeyZAUDLIINGQIDLC-UHFFFAOYSA-N
XLogP10.02
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887
N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 171754798
N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081963
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081277
9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
CID 177082033
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757155
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
CID 177082383
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
9-(1,3-benzoxazol-2-yl)-N,N-diphenyl-17-oxatricyclo[8.7.0.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-amine
CID 171755445
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 171755363
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 177082052

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 171755349) is 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c4ccccc4c(-c4nc5ccccc5o4)cc32)cc1.
What is the InChIKey of 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is ZAUDLIINGQIDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O2/c1-3-11-23(12-4-1)37(24-13-5-2-6-14-24)25-19-20-27-29-22-30(35-36-31-17-9-10-18-32(31)39-35)26-15-7-8-16-28(26)34(29)38-33(27)21-25/h1-22H.
What are the key properties of 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine?
5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 502.57 g/mol, XLogP of 10.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 171755349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).