N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine

C57H35NO2 — CID 167277589

IUPACN-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cc5ccccc5c5oc6ccccc6c45)cc3)cc21
InChIInChI=1S/C57H35NO2/c1-3-17-41-37(14-1)16-13-24-50(41)58(51-35-39-15-2-4-18-42(39)56-55(51)45-20-6-10-25-52(45)60-56)40-31-28-36(29-32-40)38-30-33-44-43-19-5-7-21-46(43)57(49(44)34-38)47-22-8-11-26-53(47)59-54-27-12-9-23-48(54)57/h1-35H
InChIKeyRXDVIVNVMDOHCK-UHFFFAOYSA-N
MW765.91 g/mol
LogP15.50
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine

N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine (PubChem CID 167277589) has the molecular formula C57H35NO2 and a molecular weight of 765.91 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
PubChem CID167277589
Molecular FormulaC57H35NO2
Molecular Weight765.91 g/mol
Exact Mass765.27
IUPAC NameN-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cc5ccccc5c5oc6ccccc6c45)cc3)cc21
InChIInChI=1S/C57H35NO2/c1-3-17-41-37(14-1)16-13-24-50(41)58(51-35-39-15-2-4-18-42(39)56-55(51)45-20-6-10-25-52(45)60-56)40-31-28-36(29-32-40)38-30-33-44-43-19-5-7-21-46(43)57(49(44)34-38)47-22-8-11-26-53(47)59-54-27-12-9-23-48(54)57/h1-35H
InChIKeyRXDVIVNVMDOHCK-UHFFFAOYSA-N
XLogP15.50
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.91
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
N-([1]benzofuro[3,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 163417846
N-phenyl-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 129309024
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476993
N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 170240704
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167277352
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine (CID 167277589) is N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cc5ccccc5c5oc6ccccc6c45)cc3)cc21.
What is the InChIKey of N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The InChIKey is RXDVIVNVMDOHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NO2/c1-3-17-41-37(14-1)16-13-24-50(41)58(51-35-39-15-2-4-18-42(39)56-55(51)45-20-6-10-25-52(45)60-56)40-31-28-36(29-32-40)38-30-33-44-43-19-5-7-21-46(43)57(49(44)34-38)47-22-8-11-26-53(47)59-54-27-12-9-23-48(54)57/h1-35H.
What are the key properties of N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine has a molecular weight of 765.91 g/mol, XLogP of 15.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine is sourced from PubChem (CID 167277589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).