N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine

C53H33NO — CID 169295781

IUPACN,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc4cc23)cc1
InChIInChI=1S/C53H33NO/c1-3-17-36(18-4-1)54(37-19-5-2-6-20-37)49-29-15-25-43-44-32-34-16-7-8-21-38(34)50(52(44)55-51(43)49)35-30-31-42-41-24-11-14-28-47(41)53(48(42)33-35)45-26-12-9-22-39(45)40-23-10-13-27-46(40)53/h1-33H
InChIKeyDHVDCDPEDDBNQF-UHFFFAOYSA-N
MW699.85 g/mol
LogP14.22
Rot. Bonds4

About N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine

N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 169295781) has the molecular formula C53H33NO and a molecular weight of 699.85 g/mol. Its IUPAC name is N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine
PubChem CID169295781
Molecular FormulaC53H33NO
Molecular Weight699.85 g/mol
Exact Mass699.26
IUPAC NameN,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc4cc23)cc1
InChIInChI=1S/C53H33NO/c1-3-17-36(18-4-1)54(37-19-5-2-6-20-37)49-29-15-25-43-44-32-34-16-7-8-21-38(34)50(52(44)55-51(43)49)35-30-31-42-41-24-11-14-28-47(41)53(48(42)33-35)45-26-12-9-22-39(45)40-23-10-13-27-46(40)53/h1-33H
InChIKeyDHVDCDPEDDBNQF-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

6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169296176
6-(4-naphthalen-1-ylphenyl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295749
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713
N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295596
6-naphthalen-1-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296361
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296213
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675127
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine (CID 169295781) is N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine is c1ccc(N(c2ccccc2)c2cccc3c2oc2c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc4cc23)cc1.
What is the InChIKey of N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is DHVDCDPEDDBNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO/c1-3-17-36(18-4-1)54(37-19-5-2-6-20-37)49-29-15-25-43-44-32-34-16-7-8-21-38(34)50(52(44)55-51(43)49)35-30-31-42-41-24-11-14-28-47(41)53(48(42)33-35)45-26-12-9-22-39(45)40-23-10-13-27-46(40)53/h1-33H.
What are the key properties of N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine?
N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-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,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 169295781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).