N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline

C65H41NO — CID 171799035

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3c4c(cc5c3oc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C65H41NO/c1-2-17-42(18-3-1)43-33-37-46(38-34-43)66(47-39-35-45(36-40-47)49-27-16-20-44-19-4-5-21-48(44)49)60-31-14-9-26-54(60)62-63-55(41-56-53-25-10-15-32-61(53)67-64(56)62)52-24-8-13-30-59(52)65(63)57-28-11-6-22-50(57)51-23-7-12-29-58(51)65/h1-41H
InChIKeyQAKXDVCKIPOOAW-UHFFFAOYSA-N
MW852.05 g/mol
LogP17.55
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline (PubChem CID 171799035) has the molecular formula C65H41NO and a molecular weight of 852.05 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
PubChem CID171799035
Molecular FormulaC65H41NO
Molecular Weight852.05 g/mol
Exact Mass851.32
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3c4c(cc5c3oc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C65H41NO/c1-2-17-42(18-3-1)43-33-37-46(38-34-43)66(47-39-35-45(36-40-47)49-27-16-20-44-19-4-5-21-48(44)49)60-31-14-9-26-54(60)62-63-55(41-56-53-25-10-15-32-61(53)67-64(56)62)52-24-8-13-30-59(52)65(63)57-28-11-6-22-50(57)51-23-7-12-29-58(51)65/h1-41H
InChIKeyQAKXDVCKIPOOAW-UHFFFAOYSA-N
XLogP17.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170421362
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
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-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline
CID 156896758
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326417
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422616
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline (CID 171799035) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3c4c(cc5c3oc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?
The InChIKey is QAKXDVCKIPOOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO/c1-2-17-42(18-3-1)43-33-37-46(38-34-43)66(47-39-35-45(36-40-47)49-27-16-20-44-19-4-5-21-48(44)49)60-31-14-9-26-54(60)62-63-55(41-56-53-25-10-15-32-61(53)67-64(56)62)52-24-8-13-30-59(52)65(63)57-28-11-6-22-50(57)51-23-7-12-29-58(51)65/h1-41H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline has a molecular weight of 852.05 g/mol, XLogP of 17.55, 6 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-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline is sourced from PubChem (CID 171799035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).