N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine

C53H51NO — CID 176594796

IUPACN-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)Oc3ccccc3C43C4CC5CC6CC3C4(C5)C6)ccc21
InChIInChI=1S/C53H51NO/c1-50(2)24-25-51(3,4)45-29-38(20-22-42(45)50)54(37-18-16-36(17-19-37)41-13-9-11-35-10-5-6-12-40(35)41)39-21-23-44-47(30-39)55-46-15-8-7-14-43(46)53(44)48-27-33-26-34-28-49(53)52(48,31-33)32-34/h5-23,29-30,33-34,48-49H,24-28,31-32H2,1-4H3
InChIKeyBATNNEMTMTXLCU-UHFFFAOYSA-N
MW718.00 g/mol
LogP14.17
Rot. Bonds4

About N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine

N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine (PubChem CID 176594796) has the molecular formula C53H51NO and a molecular weight of 718.00 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine
PubChem CID176594796
Molecular FormulaC53H51NO
Molecular Weight718.00 g/mol
Exact Mass717.40
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)Oc3ccccc3C43C4CC5CC6CC3C4(C5)C6)ccc21
InChIInChI=1S/C53H51NO/c1-50(2)24-25-51(3,4)45-29-38(20-22-42(45)50)54(37-18-16-36(17-19-37)41-13-9-11-35-10-5-6-12-40(35)41)39-21-23-44-47(30-39)55-46-15-8-7-14-43(46)53(44)48-27-33-26-34-28-49(53)52(48,31-33)32-34/h5-23,29-30,33-34,48-49H,24-28,31-32H2,1-4H3
InChIKeyBATNNEMTMTXLCU-UHFFFAOYSA-N
XLogP14.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.00
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176596067
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176595984
N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
CID 176595859
5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176595119
N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-2'-amine
CID 176595861
5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-xanthene]-4'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
CID 176595694
N-(4-naphthalen-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594666
N-(4-spiro[adamantane-2,9'-xanthene]-4'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzothiophen-2-amine
CID 176595326
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594862
N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-1'-amine
CID 176595501
N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 168764893
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594795

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine (CID 176594796) is N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)Oc3ccccc3C43C4CC5CC6CC3C4(C5)C6)ccc21.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine?
The InChIKey is BATNNEMTMTXLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H51NO/c1-50(2)24-25-51(3,4)45-29-38(20-22-42(45)50)54(37-18-16-36(17-19-37)41-13-9-11-35-10-5-6-12-40(35)41)39-21-23-44-47(30-39)55-46-15-8-7-14-43(46)53(44)48-27-33-26-34-28-49(53)52(48,31-33)32-34/h5-23,29-30,33-34,48-49H,24-28,31-32H2,1-4H3.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine?
N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine has a molecular weight of 718.00 g/mol, XLogP of 14.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine is sourced from PubChem (CID 176594796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).