N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine

C49H28N2O3 — CID 177081271

IUPACN-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccc4c(c3)oc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)ccc2c1
InChIInChI=1S/C49H28N2O3/c1-2-11-32-26-33(19-16-29(32)8-1)51(34-20-23-38-39-22-17-31-10-4-6-13-37(31)48(39)53-44(38)27-34)35-21-24-40-45(28-35)52-42-15-7-14-41(46(40)42)49-50-47-36-12-5-3-9-30(36)18-25-43(47)54-49/h1-28H
InChIKeyCDEVIMKAJOUGHL-UHFFFAOYSA-N
MW692.77 g/mol
LogP14.22
Rot. Bonds4

About N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine

N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 177081271) has the molecular formula C49H28N2O3 and a molecular weight of 692.77 g/mol. Its IUPAC name is N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID177081271
Molecular FormulaC49H28N2O3
Molecular Weight692.77 g/mol
Exact Mass692.21
IUPAC NameN-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccc4c(c3)oc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)ccc2c1
InChIInChI=1S/C49H28N2O3/c1-2-11-32-26-33(19-16-29(32)8-1)51(34-20-23-38-39-22-17-31-10-4-6-13-37(31)48(39)53-44(38)27-34)35-21-24-40-45(28-35)52-42-15-7-14-41(46(40)42)49-50-47-36-12-5-3-9-30(36)18-25-43(47)54-49/h1-28H
InChIKeyCDEVIMKAJOUGHL-UHFFFAOYSA-N
XLogP14.22
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.77
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081908
9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 177081954
9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 177081747
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-1-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177081499
N-dibenzofuran-3-yl-N-naphthalen-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine
CID 146647960
N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167402833
9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177081245
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177082281
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081354
9-benzo[g][1,3]benzoxazol-2-yl-N-chrysen-4-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 177081260
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177081283

Frequently Asked Questions

What is the IUPAC name of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine (CID 177081271) is N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc2cc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccc4c(c3)oc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)ccc2c1.
What is the InChIKey of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is CDEVIMKAJOUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2O3/c1-2-11-32-26-33(19-16-29(32)8-1)51(34-20-23-38-39-22-17-31-10-4-6-13-37(31)48(39)53-44(38)27-34)35-21-24-40-45(28-35)52-42-15-7-14-41(46(40)42)49-50-47-36-12-5-3-9-30(36)18-25-43(47)54-49/h1-28H.
What are the key properties of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine?
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 692.77 g/mol, XLogP of 14.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 177081271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).