N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine

C55H33NO3 — CID 146365352

IUPACN-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C55H33NO3/c1-2-14-34(15-3-1)37-28-30-48(41-19-5-4-16-38(37)41)56(35-27-31-51-44(32-35)42-20-8-12-24-49(42)57-51)36-26-29-47-52(33-36)58-53-43-21-9-13-25-50(43)59-54(53)55(47)45-22-10-6-17-39(45)40-18-7-11-23-46(40)55/h1-33H
InChIKeyBTPJPQVFVSWQAZ-UHFFFAOYSA-N
MW755.87 g/mol
LogP15.09
Rot. Bonds4

About N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine

N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine (PubChem CID 146365352) has the molecular formula C55H33NO3 and a molecular weight of 755.87 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
PubChem CID146365352
Molecular FormulaC55H33NO3
Molecular Weight755.87 g/mol
Exact Mass755.25
IUPAC NameN-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C55H33NO3/c1-2-14-34(15-3-1)37-28-30-48(41-19-5-4-16-38(37)41)56(35-27-31-51-44(32-35)42-20-8-12-24-49(42)57-51)36-26-29-47-52(33-36)58-53-43-21-9-13-25-50(43)59-54(53)55(47)45-22-10-6-17-39(45)40-18-7-11-23-46(40)55/h1-33H
InChIKeyBTPJPQVFVSWQAZ-UHFFFAOYSA-N
XLogP15.09
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.87
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine (CID 146365352) is N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The InChIKey is BTPJPQVFVSWQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NO3/c1-2-14-34(15-3-1)37-28-30-48(41-19-5-4-16-38(37)41)56(35-27-31-51-44(32-35)42-20-8-12-24-49(42)57-51)36-26-29-47-52(33-36)58-53-43-21-9-13-25-50(43)59-54(53)55(47)45-22-10-6-17-39(45)40-18-7-11-23-46(40)55/h1-33H.
What are the key properties of N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine has a molecular weight of 755.87 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine is sourced from PubChem (CID 146365352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).