N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine

C55H35NO — CID 164794401

IUPACN-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine
SMILESc1ccc(-c2cccc3c(N(c4cccc5ccccc45)c4ccc5c6c(cccc46)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cccc23)cc1
InChIInChI=1S/C55H35NO/c1-2-16-36(17-3-1)38-22-13-24-42-40(38)23-15-31-50(42)56(49-30-12-19-37-18-4-5-20-39(37)49)51-35-34-43-41-21-6-7-26-45(41)55(48-29-14-25-44(51)54(43)48)46-27-8-10-32-52(46)57-53-33-11-9-28-47(53)55/h1-35H
InChIKeyHAFNDFHZVLFURF-UHFFFAOYSA-N
MW725.89 g/mol
LogP14.75
Rot. Bonds4

About N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine

N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine (PubChem CID 164794401) has the molecular formula C55H35NO and a molecular weight of 725.89 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine
PubChem CID164794401
Molecular FormulaC55H35NO
Molecular Weight725.89 g/mol
Exact Mass725.27
IUPAC NameN-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine
SMILESc1ccc(-c2cccc3c(N(c4cccc5ccccc45)c4ccc5c6c(cccc46)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cccc23)cc1
InChIInChI=1S/C55H35NO/c1-2-16-36(17-3-1)38-22-13-24-42-40(38)23-15-31-50(42)56(49-30-12-19-37-18-4-5-20-39(37)49)51-35-34-43-41-21-6-7-26-45(41)55(48-29-14-25-44(51)54(43)48)46-27-8-10-32-52(46)57-53-33-11-9-28-47(53)55/h1-35H
InChIKeyHAFNDFHZVLFURF-UHFFFAOYSA-N
XLogP14.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.89
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794073
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-naphthalen-1-yl-N-(3-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzothiophen-3-amine
CID 164950058
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476565
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476782
N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
CID 164965151
N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794441
N-naphtho[1,2-b][1]benzothiol-9-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3-amine
CID 164794719
N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
CID 164977572

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine (CID 164794401) is N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine is c1ccc(-c2cccc3c(N(c4cccc5ccccc45)c4ccc5c6c(cccc46)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine?
The InChIKey is HAFNDFHZVLFURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO/c1-2-16-36(17-3-1)38-22-13-24-42-40(38)23-15-31-50(42)56(49-30-12-19-37-18-4-5-20-39(37)49)51-35-34-43-41-21-6-7-26-45(41)55(48-29-14-25-44(51)54(43)48)46-27-8-10-32-52(46)57-53-33-11-9-28-47(53)55/h1-35H.
What are the key properties of N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine?
N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine has a molecular weight of 725.89 g/mol, XLogP of 14.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine is sourced from PubChem (CID 164794401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).