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

C53H33NO2 — CID 167277352

IUPACN-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4ccc5c6ccccc6oc5c34)cc2)cc1
InChIInChI=1S/C53H33NO2/c1-2-14-34(15-3-1)35-28-31-37(32-29-35)54(46-24-12-16-36-30-33-41-40-19-6-10-26-48(40)55-51(41)50(36)46)47-25-13-23-45-52(47)56-49-27-11-9-22-44(49)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53/h1-33H
InChIKeyCOKCEGZTJMRTCD-UHFFFAOYSA-N
MW715.85 g/mol
LogP14.34
Rot. Bonds4

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

N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine (PubChem CID 167277352) has the molecular formula C53H33NO2 and a molecular weight of 715.85 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
PubChem CID167277352
Molecular FormulaC53H33NO2
Molecular Weight715.85 g/mol
Exact Mass715.25
IUPAC NameN-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4ccc5c6ccccc6oc5c34)cc2)cc1
InChIInChI=1S/C53H33NO2/c1-2-14-34(15-3-1)35-28-31-37(32-29-35)54(46-24-12-16-36-30-33-41-40-19-6-10-26-48(40)55-51(41)50(36)46)47-25-13-23-45-52(47)56-49-27-11-9-22-44(49)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53/h1-33H
InChIKeyCOKCEGZTJMRTCD-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

N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 155239548
N-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167176973
N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 168799178
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167277589
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 163790193
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277908
N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine
CID 170272549
N-(4-dibenzofuran-4-ylphenyl)-N-phenylspiro[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]-19-amine
CID 138582786
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine (CID 167277352) is N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine is c1ccc(-c2ccc(N(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4ccc5c6ccccc6oc5c34)cc2)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The InChIKey is COKCEGZTJMRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO2/c1-2-14-34(15-3-1)35-28-31-37(32-29-35)54(46-24-12-16-36-30-33-41-40-19-6-10-26-48(40)55-51(41)50(36)46)47-25-13-23-45-52(47)56-49-27-11-9-22-44(49)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53/h1-33H.
What are the key properties of N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine?
N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-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-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine is sourced from PubChem (CID 167277352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).