N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine

C49H31NO — CID 134551151

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3oc3ccccc23)cc1
InChIInChI=1S/C49H31NO/c1-2-16-34(17-3-1)50(35-30-28-33(29-31-35)37-22-12-15-32-14-4-5-18-36(32)37)44-26-13-23-41-46(44)49(47-40-21-8-11-27-45(40)51-48(41)47)42-24-9-6-19-38(42)39-20-7-10-25-43(39)49/h1-31H
InChIKeyZJAMPXJNYVTNHL-UHFFFAOYSA-N
MW649.79 g/mol
LogP13.07
Rot. Bonds4

About N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine

N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine (PubChem CID 134551151) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine
PubChem CID134551151
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3oc3ccccc23)cc1
InChIInChI=1S/C49H31NO/c1-2-16-34(17-3-1)50(35-30-28-33(29-31-35)37-22-12-15-32-14-4-5-18-36(32)37)44-26-13-23-41-46(44)49(47-40-21-8-11-27-45(40)51-48(41)47)42-24-9-6-19-38(42)39-20-7-10-25-43(39)49/h1-31H
InChIKeyZJAMPXJNYVTNHL-UHFFFAOYSA-N
XLogP13.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine
CID 159234703
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine
CID 134551139
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170421362
N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
CID 134551135
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine
CID 134551177
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
CID 171799035
2-N'-naphthalen-2-yl-2-N,2-N-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine;2-N-naphthalen-2-yl-2-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4'-diamine;2-N,2-N,5-N,5-N-tetraphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,5-diamine;2-N',2-N',4-N-triphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2',4-diamine
CID 159110697
N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine
CID 129230904
2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326417
N-naphthalen-1-yl-N,10,10-triphenylindeno[1,2-b][1]benzofuran-2-amine
CID 156550128

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine (CID 134551151) is N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3oc3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine?
The InChIKey is ZJAMPXJNYVTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-2-16-34(17-3-1)50(35-30-28-33(29-31-35)37-22-12-15-32-14-4-5-18-36(32)37)44-26-13-23-41-46(44)49(47-40-21-8-11-27-45(40)51-48(41)47)42-24-9-6-19-38(42)39-20-7-10-25-43(39)49/h1-31H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine?
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine has a molecular weight of 649.79 g/mol, XLogP of 13.07, 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-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine is sourced from PubChem (CID 134551151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).