9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine

C49H30N2O2 — CID 177081747

IUPAC9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4oc5cccc(-c6nc7c(ccc8ccccc87)o6)c5c4c3)ccc2c1
InChIInChI=1S/C49H30N2O2/c1-2-12-35-29-37(25-19-31(35)9-1)51(36-23-20-34(21-24-36)40-16-7-13-32-10-3-5-14-39(32)40)38-26-28-44-43(30-38)47-42(17-8-18-45(47)52-44)49-50-48-41-15-6-4-11-33(41)22-27-46(48)53-49/h1-30H
InChIKeyUSRMDXARZYFWAC-UHFFFAOYSA-N
MW678.79 g/mol
LogP13.99
Rot. Bonds5

About 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine

9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine (PubChem CID 177081747) has the molecular formula C49H30N2O2 and a molecular weight of 678.79 g/mol. Its IUPAC name is 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
PubChem CID177081747
Molecular FormulaC49H30N2O2
Molecular Weight678.79 g/mol
Exact Mass678.23
IUPAC Name9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4oc5cccc(-c6nc7c(ccc8ccccc87)o6)c5c4c3)ccc2c1
InChIInChI=1S/C49H30N2O2/c1-2-12-35-29-37(25-19-31(35)9-1)51(36-23-20-34(21-24-36)40-16-7-13-32-10-3-5-14-39(32)40)38-26-28-44-43(30-38)47-42(17-8-18-45(47)52-44)49-50-48-41-15-6-4-11-33(41)22-27-46(48)53-49/h1-30H
InChIKeyUSRMDXARZYFWAC-UHFFFAOYSA-N
XLogP13.99
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.79
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 166055376
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 177081954
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081271
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177081283
N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167125406
9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177081450
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177082064
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 176785451
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081908

Frequently Asked Questions

What is the IUPAC name of 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine (CID 177081747) is 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine is c1ccc2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4oc5cccc(-c6nc7c(ccc8ccccc87)o6)c5c4c3)ccc2c1.
What is the InChIKey of 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The InChIKey is USRMDXARZYFWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2/c1-2-12-35-29-37(25-19-31(35)9-1)51(36-23-20-34(21-24-36)40-16-7-13-32-10-3-5-14-39(32)40)38-26-28-44-43(30-38)47-42(17-8-18-45(47)52-44)49-50-48-41-15-6-4-11-33(41)22-27-46(48)53-49/h1-30H.
What are the key properties of 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine has a molecular weight of 678.79 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177081747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).