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

C52H51N — CID 176595100

IUPAC1',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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3C(C)(C)CCC4(C)C)c([2H])c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H51N/c1-50(2)25-26-51(3,4)49-46(50)17-10-18-48(49)53(39-21-19-36(20-22-39)42-15-9-12-35-11-5-6-13-41(35)42)40-23-24-44-43-14-7-8-16-45(43)52(47(44)32-40)37-28-33-27-34(30-37)31-38(52)29-33/h5-24,32-34,37-38H,25-31H2,1-4H3/i7D,8D,14D,16D,23D,24D,32D
InChIKeyNDINKJJWMGMHCU-RBATYBGUSA-N
MW697.03 g/mol
LogP14.05
Rot. Bonds4

About 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

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 (PubChem CID 176595100) has the molecular formula C52H51N and a molecular weight of 697.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1',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
PubChem CID176595100
Molecular FormulaC52H51N
Molecular Weight697.03 g/mol
Exact Mass696.45
IUPAC Name1',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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3C(C)(C)CCC4(C)C)c([2H])c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H51N/c1-50(2)25-26-51(3,4)49-46(50)17-10-18-48(49)53(39-21-19-36(20-22-39)42-15-9-12-35-11-5-6-13-41(35)42)40-23-24-44-43-14-7-8-16-45(43)52(47(44)32-40)37-28-33-27-34(30-37)31-38(52)29-33/h5-24,32-34,37-38H,25-31H2,1-4H3/i7D,8D,14D,16D,23D,24D,32D
InChIKeyNDINKJJWMGMHCU-RBATYBGUSA-N
XLogP14.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.03
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595101
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176596011
N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-1'-amine
CID 176595501
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176594814
N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 159328306
N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 176595774
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
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176596121
7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595541
N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176596067
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176595371
N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595348

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3C(C)(C)CCC4(C)C)c([2H])c1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 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?
The InChIKey is NDINKJJWMGMHCU-RBATYBGUSA-N. The full InChI is InChI=1S/C52H51N/c1-50(2)25-26-51(3,4)49-46(50)17-10-18-48(49)53(39-21-19-36(20-22-39)42-15-9-12-35-11-5-6-13-41(35)42)40-23-24-44-43-14-7-8-16-45(43)52(47(44)32-40)37-28-33-27-34(30-37)31-38(52)29-33/h5-24,32-34,37-38H,25-31H2,1-4H3/i7D,8D,14D,16D,23D,24D,32D.
What are the key properties of 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?
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 has a molecular weight of 697.03 g/mol, XLogP of 14.05, 4 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-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 176595100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).