4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

C49H31NO — CID 172545038

IUPAC4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccccc4)ccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C49H31NO/c1-3-15-31(16-4-1)33-22-13-23-38-46-44(30-29-34(48(46)51-47(33)38)32-17-5-2-6-18-32)50-43-28-14-27-42-45(43)37-21-9-12-26-41(37)49(42)39-24-10-7-19-35(39)36-20-8-11-25-40(36)49/h1-30,50H
InChIKeyJAEMFUSHLUAMHK-UHFFFAOYSA-N
MW649.79 g/mol
LogP13.01
Rot. Bonds4

About 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (PubChem CID 172545038) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
PubChem CID172545038
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC Name4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccccc4)ccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C49H31NO/c1-3-15-31(16-4-1)33-22-13-23-38-46-44(30-29-34(48(46)51-47(33)38)32-17-5-2-6-18-32)50-43-28-14-27-42-45(43)37-21-9-12-26-41(37)49(42)39-24-10-7-19-35(39)36-20-8-11-25-40(36)49/h1-30,50H
InChIKeyJAEMFUSHLUAMHK-UHFFFAOYSA-N
XLogP13.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 513.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
CID 172544930
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730522
9,9-diphenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 155297416
N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160799139
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
CID 172544870
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzothiophen-1-amine
CID 172544806
N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine
CID 172508818
N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172544875

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The IUPAC name of 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (CID 172545038) is 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The canonical SMILES for 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is c1ccc(-c2cccc3c2oc2c(-c4ccccc4)ccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1.
What is the InChIKey of 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The InChIKey is JAEMFUSHLUAMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-3-15-31(16-4-1)33-22-13-23-38-46-44(30-29-34(48(46)51-47(33)38)32-17-5-2-6-18-32)50-43-28-14-27-42-45(43)37-21-9-12-26-41(37)49(42)39-24-10-7-19-35(39)36-20-8-11-25-40(36)49/h1-30,50H.
What are the key properties of 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine has a molecular weight of 649.79 g/mol, XLogP of 13.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 172545038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).