N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine

C49H31NO — CID 134551139

IUPACN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C49H31NO/c1-2-13-32(14-3-1)33-25-27-35(28-26-33)50(45-23-12-16-34-15-4-5-17-37(34)45)36-29-30-40-44(31-36)49(47-41-20-8-11-24-46(41)51-48(40)47)42-21-9-6-18-38(42)39-19-7-10-22-43(39)49/h1-31H
InChIKeyZJZQGXXERKVVAR-UHFFFAOYSA-N
MW649.79 g/mol
LogP13.07
Rot. Bonds4

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

N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine (PubChem CID 134551139) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine
PubChem CID134551139
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC NameN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C49H31NO/c1-2-13-32(14-3-1)33-25-27-35(28-26-33)50(45-23-12-16-34-15-4-5-17-37(34)45)36-29-30-40-44(31-36)49(47-41-20-8-11-24-46(41)51-48(40)47)42-21-9-6-18-38(42)39-19-7-10-22-43(39)49/h1-31H
InChIKeyZJZQGXXERKVVAR-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

N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine
CID 134551177
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-naphthalen-1-yl-N,10,10-triphenylindeno[1,2-b][1]benzofuran-2-amine
CID 156550128
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine
CID 134529625
2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
CID 134529977
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine
CID 134551151
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-8-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 161431533
N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
CID 134551135

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine (CID 134551139) is N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine?
The InChIKey is ZJZQGXXERKVVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-2-13-32(14-3-1)33-25-27-35(28-26-33)50(45-23-12-16-34-15-4-5-17-37(34)45)36-29-30-40-44(31-36)49(47-41-20-8-11-24-46(41)51-48(40)47)42-21-9-6-18-38(42)39-19-7-10-22-43(39)49/h1-31H.
What are the key properties of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine?
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-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-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine is sourced from PubChem (CID 134551139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).