N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine

C51H31NO3 — CID 146365117

IUPACN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5c(oc4c3)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C51H31NO3/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)52(35-27-29-46-41(30-35)39-16-6-10-20-45(39)53-46)36-26-28-40-48(31-36)55-50-49(40)54-47-21-11-9-19-44(47)51(50)42-17-7-4-14-37(42)38-15-5-8-18-43(38)51/h1-31H
InChIKeyZVRLBTQPLLKPFE-UHFFFAOYSA-N
MW705.81 g/mol
LogP13.94
Rot. Bonds4

About N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine

N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine (PubChem CID 146365117) has the molecular formula C51H31NO3 and a molecular weight of 705.81 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine
PubChem CID146365117
Molecular FormulaC51H31NO3
Molecular Weight705.81 g/mol
Exact Mass705.23
IUPAC NameN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5c(oc4c3)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C51H31NO3/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)52(35-27-29-46-41(30-35)39-16-6-10-20-45(39)53-46)36-26-28-40-48(31-36)55-50-49(40)54-47-21-11-9-19-44(47)51(50)42-17-7-4-14-37(42)38-15-5-8-18-43(38)51/h1-31H
InChIKeyZVRLBTQPLLKPFE-UHFFFAOYSA-N
XLogP13.94
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.81
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365158
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
CID 161152481
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365284
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365250
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 157265622
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365355
N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
CID 146365105
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 159689276
2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine
CID 146365095
N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365352
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine (CID 146365117) is N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine is c1ccc(-c2ccc(N(c3ccc4c5c(oc4c3)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine?
The InChIKey is ZVRLBTQPLLKPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31NO3/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)52(35-27-29-46-41(30-35)39-16-6-10-20-45(39)53-46)36-26-28-40-48(31-36)55-50-49(40)54-47-21-11-9-19-44(47)51(50)42-17-7-4-14-37(42)38-15-5-8-18-43(38)51/h1-31H.
What are the key properties of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine?
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine has a molecular weight of 705.81 g/mol, XLogP of 13.94, 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-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine is sourced from PubChem (CID 146365117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).