N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine

C53H33NO2 — CID 164730810

IUPACN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C53H33NO2/c1-2-12-34(13-3-1)35-22-25-37(26-23-35)54(38-28-31-49-43(32-38)41-16-6-9-19-48(41)55-49)39-27-29-42-47(33-39)53(46-30-24-36-14-4-5-15-40(36)52(42)46)44-17-7-10-20-50(44)56-51-21-11-8-18-45(51)53/h1-33H
InChIKeySRDGEBXSGLDBSP-UHFFFAOYSA-N
MW715.85 g/mol
LogP14.34
Rot. Bonds4

About N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine

N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (PubChem CID 164730810) has the molecular formula C53H33NO2 and a molecular weight of 715.85 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
PubChem CID164730810
Molecular FormulaC53H33NO2
Molecular Weight715.85 g/mol
Exact Mass715.25
IUPAC NameN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C53H33NO2/c1-2-12-34(13-3-1)35-22-25-37(26-23-35)54(38-28-31-49-43(32-38)41-16-6-9-19-48(41)55-49)39-27-29-42-47(33-39)53(46-30-24-36-14-4-5-15-40(36)52(42)46)44-17-7-10-20-50(44)56-51-21-11-8-18-45(51)53/h1-33H
InChIKeySRDGEBXSGLDBSP-UHFFFAOYSA-N
XLogP14.34
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.85
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (CID 164730810) is N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The InChIKey is SRDGEBXSGLDBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO2/c1-2-12-34(13-3-1)35-22-25-37(26-23-35)54(38-28-31-49-43(32-38)41-16-6-9-19-48(41)55-49)39-27-29-42-47(33-39)53(46-30-24-36-14-4-5-15-40(36)52(42)46)44-17-7-10-20-50(44)56-51-21-11-8-18-45(51)53/h1-33H.
What are the key properties of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine has a molecular weight of 715.85 g/mol, XLogP of 14.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is sourced from PubChem (CID 164730810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).