N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine

C57H35NO — CID 137392478

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc21
InChIInChI=1S/C57H35NO/c1-2-13-42-36(12-1)24-25-38-34-40(30-32-43(38)42)58(39-28-26-37(27-29-39)44-18-11-19-50-49-17-6-10-23-55(49)59-56(44)50)41-31-33-48-47-16-5-9-22-53(47)57(54(48)35-41)51-20-7-3-14-45(51)46-15-4-8-21-52(46)57/h1-35H
InChIKeyUYBXLPYXVYFVRH-UHFFFAOYSA-N
MW749.91 g/mol
LogP15.37
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 137392478) has the molecular formula C57H35NO and a molecular weight of 749.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID137392478
Molecular FormulaC57H35NO
Molecular Weight749.91 g/mol
Exact Mass749.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc21
InChIInChI=1S/C57H35NO/c1-2-13-42-36(12-1)24-25-38-34-40(30-32-43(38)42)58(39-28-26-37(27-29-39)44-18-11-19-50-49-17-6-10-23-55(49)59-56(44)50)41-31-33-48-47-16-5-9-22-53(47)57(54(48)35-41)51-20-7-3-14-45(51)46-15-4-8-21-52(46)57/h1-35H
InChIKeyUYBXLPYXVYFVRH-UHFFFAOYSA-N
XLogP15.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.91
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 145242811
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383308
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298418
N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168805359
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 144724087
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 137392478) is N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is UYBXLPYXVYFVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NO/c1-2-13-42-36(12-1)24-25-38-34-40(30-32-43(38)42)58(39-28-26-37(27-29-39)44-18-11-19-50-49-17-6-10-23-55(49)59-56(44)50)41-31-33-48-47-16-5-9-22-53(47)57(54(48)35-41)51-20-7-3-14-45(51)46-15-4-8-21-52(46)57/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 749.91 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 137392478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).