N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine

C53H33NO — CID 176844263

IUPACN,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/C53H33NO/c1-3-17-34(18-4-1)42-33-35-19-7-8-22-37(35)49-41-26-15-32-48(51(41)55-52(42)49)54(36-20-5-2-6-21-36)47-31-16-30-46-50(47)40-25-11-14-29-45(40)53(46)43-27-12-9-23-38(43)39-24-10-13-28-44(39)53/h1-33H
InChIKeyCHFJPLGLBXZEJA-UHFFFAOYSA-N
MW699.85 g/mol
LogP14.22
Rot. Bonds4

About N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine

N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 176844263) has the molecular formula C53H33NO and a molecular weight of 699.85 g/mol. Its IUPAC name is N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID176844263
Molecular FormulaC53H33NO
Molecular Weight699.85 g/mol
Exact Mass699.26
IUPAC NameN,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/C53H33NO/c1-3-17-34(18-4-1)42-33-35-19-7-8-22-37(35)49-41-26-15-32-48(51(41)55-52(42)49)54(36-20-5-2-6-21-36)47-31-16-30-46-50(47)40-25-11-14-29-45(40)53(46)43-27-12-9-23-38(43)39-24-10-13-28-44(39)53/h1-33H
InChIKeyCHFJPLGLBXZEJA-UHFFFAOYSA-N
XLogP14.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.85
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 166028581
8-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444448
6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730600
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730540
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290660
N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172544875
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230
N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295781

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 176844263) is N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1.
What is the InChIKey of N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is CHFJPLGLBXZEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO/c1-3-17-34(18-4-1)42-33-35-19-7-8-22-37(35)49-41-26-15-32-48(51(41)55-52(42)49)54(36-20-5-2-6-21-36)47-31-16-30-46-50(47)40-25-11-14-29-45(40)53(46)43-27-12-9-23-38(43)39-24-10-13-28-44(39)53/h1-33H.
What are the key properties of N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 699.85 g/mol, XLogP of 14.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176844263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).