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

C45H28N2O2 — CID 177081596

IUPAC9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)cc3)cccc2c1
InChIInChI=1S/C45H28N2O2/c1-3-15-33-29(11-1)13-7-17-34(33)31-25-27-32(28-26-31)47(39-21-8-14-30-12-2-4-16-35(30)39)40-22-9-18-36-43-37(19-10-24-42(43)48-44(36)40)45-46-38-20-5-6-23-41(38)49-45/h1-28H
InChIKeyCMMFVAKBNPZQRX-UHFFFAOYSA-N
MW628.73 g/mol
LogP12.84
Rot. Bonds5

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

9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 177081596) has the molecular formula C45H28N2O2 and a molecular weight of 628.73 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
PubChem CID177081596
Molecular FormulaC45H28N2O2
Molecular Weight628.73 g/mol
Exact Mass628.22
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)cc3)cccc2c1
InChIInChI=1S/C45H28N2O2/c1-3-15-33-29(11-1)13-7-17-34(33)31-25-27-32(28-26-31)47(39-21-8-14-30-12-2-4-16-35(30)39)40-22-9-18-36-43-37(19-10-24-42(43)48-44(36)40)45-46-38-20-5-6-23-41(38)49-45/h1-28H
InChIKeyCMMFVAKBNPZQRX-UHFFFAOYSA-N
XLogP12.84
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.73
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081862
N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397130
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 177081784
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081783
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
CID 155402854
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290124

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (CID 177081596) is 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is c1ccc2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)cc3)cccc2c1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is CMMFVAKBNPZQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O2/c1-3-15-33-29(11-1)13-7-17-34(33)31-25-27-32(28-26-31)47(39-21-8-14-30-12-2-4-16-35(30)39)40-22-9-18-36-43-37(19-10-24-42(43)48-44(36)40)45-46-38-20-5-6-23-41(38)49-45/h1-28H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine has a molecular weight of 628.73 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 177081596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).