N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine

C49H41N — CID 156567937

IUPACN-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine
SMILESc1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccccc4c3)ccc1C21CC2CCC3CC2CC1C3
InChIInChI=1S/C49H41N/c1-2-10-36-29-41(23-18-33(36)8-1)50(40-21-19-35(20-22-40)44-14-7-11-34-9-3-4-12-43(34)44)42-24-25-48-46(30-42)45-13-5-6-15-47(45)49(48)31-37-17-16-32-26-38(37)28-39(49)27-32/h1-15,18-25,29-30,32,37-39H,16-17,26-28,31H2
InChIKeyAATRGCZGWBVWLM-UHFFFAOYSA-N
MW643.87 g/mol
LogP13.24
Rot. Bonds4

About N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine

N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine (PubChem CID 156567937) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine
PubChem CID156567937
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC NameN-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine
SMILESc1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccccc4c3)ccc1C21CC2CCC3CC2CC1C3
InChIInChI=1S/C49H41N/c1-2-10-36-29-41(23-18-33(36)8-1)50(40-21-19-35(20-22-40)44-14-7-11-34-9-3-4-12-43(34)44)42-24-25-48-46(30-42)45-13-5-6-15-47(45)49(48)31-37-17-16-32-26-38(37)28-39(49)27-32/h1-15,18-25,29-30,32,37-39H,16-17,26-28,31H2
InChIKeyAATRGCZGWBVWLM-UHFFFAOYSA-N
XLogP13.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine
CID 156568216
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline
CID 156567564
N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine
CID 170121119
N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508521
N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenanthren-2-amine
CID 166508480
N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 170118198
methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 163873104
N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine
CID 156567998
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine (CID 156567937) is N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine is c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccccc4c3)ccc1C21CC2CCC3CC2CC1C3.
What is the InChIKey of N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine?
The InChIKey is AATRGCZGWBVWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-2-10-36-29-41(23-18-33(36)8-1)50(40-21-19-35(20-22-40)44-14-7-11-34-9-3-4-12-43(34)44)42-24-25-48-46(30-42)45-13-5-6-15-47(45)49(48)31-37-17-16-32-26-38(37)28-39(49)27-32/h1-15,18-25,29-30,32,37-39H,16-17,26-28,31H2.
What are the key properties of N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine?
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine has a molecular weight of 643.87 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine is sourced from PubChem (CID 156567937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).