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

C49H30N2O2 — CID 177081354

IUPAC9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2cccc(-c4nc5cc6ccccc6cc5o4)c23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C49H30N2O2/c1-2-13-33-27-36(24-23-31(33)11-1)51(44-21-8-7-18-40(44)39-19-9-16-32-12-5-6-17-38(32)39)37-25-26-41-46(30-37)52-45-22-10-20-42(48(41)45)49-50-43-28-34-14-3-4-15-35(34)29-47(43)53-49/h1-30H
InChIKeyFRPKYFJYEWYNEK-UHFFFAOYSA-N
MW678.79 g/mol
LogP13.99
Rot. Bonds5

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

9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 177081354) has the molecular formula C49H30N2O2 and a molecular weight of 678.79 g/mol. Its IUPAC name is 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID177081354
Molecular FormulaC49H30N2O2
Molecular Weight678.79 g/mol
Exact Mass678.23
IUPAC Name9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2cccc(-c4nc5cc6ccccc6cc5o4)c23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C49H30N2O2/c1-2-13-33-27-36(24-23-31(33)11-1)51(44-21-8-7-18-40(44)39-19-9-16-32-12-5-6-17-38(32)39)37-25-26-41-46(30-37)52-45-22-10-20-42(48(41)45)49-50-43-28-34-14-3-4-15-35(34)29-47(43)53-49/h1-30H
InChIKeyFRPKYFJYEWYNEK-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-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-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177081618
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
9-benzo[g][1,3]benzoxazol-2-yl-N-chrysen-4-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 177081260
9-benzo[f][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-4-yl-N-phenyldibenzofuran-3-amine
CID 177082084
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 177081954
9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081783
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]-N-(2-phenylphenyl)phenanthren-2-amine
CID 167128485
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081271
9-benzo[g][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177082016
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
CID 177081610

Frequently Asked Questions

What is the IUPAC name of 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 177081354) is 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2cccc(-c4nc5cc6ccccc6cc5o4)c23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is FRPKYFJYEWYNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2/c1-2-13-33-27-36(24-23-31(33)11-1)51(44-21-8-7-18-40(44)39-19-9-16-32-12-5-6-17-38(32)39)37-25-26-41-46(30-37)52-45-22-10-20-42(48(41)45)49-50-43-28-34-14-3-4-15-35(34)29-47(43)53-49/h1-30H.
What are the key properties of 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-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[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).