1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine

C62H67N — CID 176596075

IUPAC1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])C(C)(C)CCC5(C)C)c([2H])c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])C(C)(C)CCC5(C)C)c([2H])c3[2H])c([2H])c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C62H67N/c1-58(2)27-29-60(5,6)56-36-43(17-25-53(56)58)41-13-19-47(20-14-41)63(48-21-15-42(16-22-48)44-18-26-54-57(37-44)61(7,8)30-28-59(54,3)4)49-23-24-51-50-11-9-10-12-52(50)62(55(51)38-49)45-32-39-31-40(34-45)35-46(62)33-39/h9-26,36-40,45-46H,27-35H2,1-8H3/i9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,36D,37D,38D
InChIKeyZCZYYAWBUUFZHP-YZLKLMDESA-N
MW847.35 g/mol
LogP16.91
Rot. Bonds5

About 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine

1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 176596075) has the molecular formula C62H67N and a molecular weight of 847.35 g/mol. Its IUPAC name is 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID176596075
Molecular FormulaC62H67N
Molecular Weight847.35 g/mol
Exact Mass846.66
IUPAC Name1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])C(C)(C)CCC5(C)C)c([2H])c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])C(C)(C)CCC5(C)C)c([2H])c3[2H])c([2H])c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C62H67N/c1-58(2)27-29-60(5,6)56-36-43(17-25-53(56)58)41-13-19-47(20-14-41)63(48-21-15-42(16-22-48)44-18-26-54-57(37-44)61(7,8)30-28-59(54,3)4)49-23-24-51-50-11-9-10-12-52(50)62(55(51)38-49)45-32-39-31-40(34-45)35-46(62)33-39/h9-26,36-40,45-46H,27-35H2,1-8H3/i9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,36D,37D,38D
InChIKeyZCZYYAWBUUFZHP-YZLKLMDESA-N
XLogP16.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.35
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine with MolForge

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Related Compounds

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
1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
CID 176596028
1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168750125
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
6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595869
1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 168759206
4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline
CID 160993625
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595499
1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750056
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
N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594820
9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 176594755

Frequently Asked Questions

What is the IUPAC name of 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (CID 176596075) is 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])C(C)(C)CCC5(C)C)c([2H])c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])C(C)(C)CCC5(C)C)c([2H])c3[2H])c([2H])c1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is ZCZYYAWBUUFZHP-YZLKLMDESA-N. The full InChI is InChI=1S/C62H67N/c1-58(2)27-29-60(5,6)56-36-43(17-25-53(56)58)41-13-19-47(20-14-41)63(48-21-15-42(16-22-48)44-18-26-54-57(37-44)61(7,8)30-28-59(54,3)4)49-23-24-51-50-11-9-10-12-52(50)62(55(51)38-49)45-32-39-31-40(34-45)35-46(62)33-39/h9-26,36-40,45-46H,27-35H2,1-8H3/i9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,36D,37D,38D.
What are the key properties of 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 847.35 g/mol, XLogP of 16.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',4',5',6',7',8'-heptadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 176596075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).