11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

C47H28N2O3 — CID 177081876

IUPAC11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4oc5cccc(-c6nc7ccccc7o6)c5c4c4ccccc34)c2)cc1
InChIInChI=1S/C47H28N2O3/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)49(32-24-25-41-37(27-32)34-17-6-8-21-40(34)50-41)39-28-44-45(35-18-5-4-16-33(35)39)46-36(19-11-23-43(46)51-44)47-48-38-20-7-9-22-42(38)52-47/h1-28H
InChIKeyVDWWERGXNNQFFN-UHFFFAOYSA-N
MW668.75 g/mol
LogP13.58
Rot. Bonds5

About 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 177081876) has the molecular formula C47H28N2O3 and a molecular weight of 668.75 g/mol. Its IUPAC name is 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
PubChem CID177081876
Molecular FormulaC47H28N2O3
Molecular Weight668.75 g/mol
Exact Mass668.21
IUPAC Name11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4oc5cccc(-c6nc7ccccc7o6)c5c4c4ccccc34)c2)cc1
InChIInChI=1S/C47H28N2O3/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)49(32-24-25-41-37(27-32)34-17-6-8-21-40(34)50-41)39-28-44-45(35-18-5-4-16-33(35)39)46-36(19-11-23-43(46)51-44)47-48-38-20-7-9-22-42(38)52-47/h1-28H
InChIKeyVDWWERGXNNQFFN-UHFFFAOYSA-N
XLogP13.58
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.75
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754421
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine
CID 177081884
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 177081945
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177082064
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082409
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
CID 177082383
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
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 177081784

Frequently Asked Questions

What is the IUPAC name of 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (CID 177081876) is 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is c1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4oc5cccc(-c6nc7ccccc7o6)c5c4c4ccccc34)c2)cc1.
What is the InChIKey of 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is VDWWERGXNNQFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O3/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)49(32-24-25-41-37(27-32)34-17-6-8-21-40(34)50-41)39-28-44-45(35-18-5-4-16-33(35)39)46-36(19-11-23-43(46)51-44)47-48-38-20-7-9-22-42(38)52-47/h1-28H.
What are the key properties of 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 668.75 g/mol, XLogP of 13.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 177081876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).