N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine

C49H41NO — CID 171730668

IUPACN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Nc4cccc5c4oc4ccc6ccccc6c45)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C49H41NO/c1-47(2,3)30-19-22-35-36-23-20-31(48(4,5)6)27-41(36)49(40(35)26-30)39-16-10-9-14-34(39)37-24-21-32(28-42(37)49)50-43-17-11-15-38-45-33-13-8-7-12-29(33)18-25-44(45)51-46(38)43/h7-28,50H,1-6H3
InChIKeyCMKKPTIKRAWMSR-UHFFFAOYSA-N
MW659.87 g/mol
LogP13.42
Rot. Bonds2

About N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine

N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 171730668) has the molecular formula C49H41NO and a molecular weight of 659.87 g/mol. Its IUPAC name is N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID171730668
Molecular FormulaC49H41NO
Molecular Weight659.87 g/mol
Exact Mass659.32
IUPAC NameN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Nc4cccc5c4oc4ccc6ccccc6c45)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C49H41NO/c1-47(2,3)30-19-22-35-36-23-20-31(48(4,5)6)27-41(36)49(40(35)26-30)39-16-10-9-14-34(39)37-24-21-32(28-42(37)49)50-43-17-11-15-38-45-33-13-8-7-12-29(33)18-25-44(45)51-46(38)43/h7-28,50H,1-6H3
InChIKeyCMKKPTIKRAWMSR-UHFFFAOYSA-N
XLogP13.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.87
LogP ≤ 513.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine with MolForge

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Related Compounds

N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730572
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
N-[4-(trifluoromethyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 126550573
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
CID 172544930
N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 166647190
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444554
6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730522
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022062
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]dibenzothiophen-1-amine
CID 177114042
N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 166959966
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444535
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114159

Frequently Asked Questions

What is the IUPAC name of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 171730668) is N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Nc4cccc5c4oc4ccc6ccccc6c45)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is CMKKPTIKRAWMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41NO/c1-47(2,3)30-19-22-35-36-23-20-31(48(4,5)6)27-41(36)49(40(35)26-30)39-16-10-9-14-34(39)37-24-21-32(28-42(37)49)50-43-17-11-15-38-45-33-13-8-7-12-29(33)18-25-44(45)51-46(38)43/h7-28,50H,1-6H3.
What are the key properties of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 659.87 g/mol, XLogP of 13.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 171730668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).