N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine

C48H47NO — CID 176595878

IUPACN-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3ccc4oc5ccccc5c4c3)c([2H])c([2H])c([2H])c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C48H47NO/c1-46(2)20-21-47(3,4)41-28-34(16-18-39(41)46)49(33-17-19-44-37(27-33)35-10-6-8-15-43(35)50-44)42-14-9-13-40-45(42)36-11-5-7-12-38(36)48(40)31-23-29-22-30(25-31)26-32(48)24-29/h5-19,27-32H,20-26H2,1-4H3/i5D,7D,9D,11D,12D,13D,14D
InChIKeyGOWORHBYDPRLLO-RHMJTLMSSA-N
MW660.95 g/mol
LogP13.13
Rot. Bonds3

About N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine

N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine (PubChem CID 176595878) has the molecular formula C48H47NO and a molecular weight of 660.95 g/mol. Its IUPAC name is N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine
PubChem CID176595878
Molecular FormulaC48H47NO
Molecular Weight660.95 g/mol
Exact Mass660.41
IUPAC NameN-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3ccc4oc5ccccc5c4c3)c([2H])c([2H])c([2H])c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C48H47NO/c1-46(2)20-21-47(3,4)41-28-34(16-18-39(41)46)49(33-17-19-44-37(27-33)35-10-6-8-15-43(35)50-44)42-14-9-13-40-45(42)36-11-5-7-12-38(36)48(40)31-23-29-22-30(25-31)26-32(48)24-29/h5-19,27-32H,20-26H2,1-4H3/i5D,7D,9D,11D,12D,13D,14D
InChIKeyGOWORHBYDPRLLO-RHMJTLMSSA-N
XLogP13.13
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.95
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine with MolForge

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Related Compounds

N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine
CID 176595146
N-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzofuran-1-amine
CID 176594821
N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595228
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594862
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine
CID 167056502
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595499
N-naphthalen-1-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-2'-amine
CID 176595663
6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595869
5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-xanthene]-4'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
CID 176595694
1',3',4',5',6',7',8'-heptadeuterio-N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595100
9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-4-amine
CID 176595342

Frequently Asked Questions

What is the IUPAC name of N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine (CID 176595878) is N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3ccc4oc5ccccc5c4c3)c([2H])c([2H])c([2H])c1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine?
The InChIKey is GOWORHBYDPRLLO-RHMJTLMSSA-N. The full InChI is InChI=1S/C48H47NO/c1-46(2)20-21-47(3,4)41-28-34(16-18-39(41)46)49(33-17-19-44-37(27-33)35-10-6-8-15-43(35)50-44)42-14-9-13-40-45(42)36-11-5-7-12-38(36)48(40)31-23-29-22-30(25-31)26-32(48)24-29/h5-19,27-32H,20-26H2,1-4H3/i5D,7D,9D,11D,12D,13D,14D.
What are the key properties of N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine?
N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine has a molecular weight of 660.95 g/mol, XLogP of 13.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 176595878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).