6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine

C53H49NO — CID 174311871

IUPAC6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine
SMILESCC(C)(C)c1cccc2c1oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc12
InChIInChI=1S/C53H49NO/c1-51(2,3)46-16-10-13-42-43-28-35(19-22-49(43)55-50(42)46)54(36-17-20-40-38-11-6-8-14-44(38)52(4,5)47(40)29-36)37-18-21-41-39-12-7-9-15-45(39)53(48(41)30-37)33-24-31-23-32(26-33)27-34(53)25-31/h6-22,28-34H,23-27H2,1-5H3
InChIKeyVYEIEZHSEAKLJE-UHFFFAOYSA-N
MW715.98 g/mol
LogP14.38
Rot. Bonds3

About 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine

6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine (PubChem CID 174311871) has the molecular formula C53H49NO and a molecular weight of 715.98 g/mol. Its IUPAC name is 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine
PubChem CID174311871
Molecular FormulaC53H49NO
Molecular Weight715.98 g/mol
Exact Mass715.38
IUPAC Name6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine
SMILESCC(C)(C)c1cccc2c1oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc12
InChIInChI=1S/C53H49NO/c1-51(2,3)46-16-10-13-42-43-28-35(19-22-49(43)55-50(42)46)54(36-17-20-40-38-11-6-8-14-44(38)52(4,5)47(40)29-36)37-18-21-41-39-12-7-9-15-45(39)53(48(41)30-37)33-24-31-23-32(26-33)27-34(53)25-31/h6-22,28-34H,23-27H2,1-5H3
InChIKeyVYEIEZHSEAKLJE-UHFFFAOYSA-N
XLogP14.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.98
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-8-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 174313552
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821917
CID 159290287
CID 159290287
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315361
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 174313565
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
CID 174312493
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine?
The IUPAC name of 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine (CID 174311871) is 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine.
What is the SMILES notation for 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine?
The canonical SMILES for 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine is CC(C)(C)c1cccc2c1oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc12.
What is the InChIKey of 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine?
The InChIKey is VYEIEZHSEAKLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49NO/c1-51(2,3)46-16-10-13-42-43-28-35(19-22-49(43)55-50(42)46)54(36-17-20-40-38-11-6-8-14-44(38)52(4,5)47(40)29-36)37-18-21-41-39-12-7-9-15-45(39)53(48(41)30-37)33-24-31-23-32(26-33)27-34(53)25-31/h6-22,28-34H,23-27H2,1-5H3.
What are the key properties of 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine?
6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine has a molecular weight of 715.98 g/mol, XLogP of 14.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine is sourced from PubChem (CID 174311871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).