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

C56H63N — CID 176595869

IUPAC6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21
InChIInChI=1S/C56H63N/c1-52(2)22-24-54(5,6)50-33-42(16-20-48(50)52)57(43-17-21-49-51(34-43)55(7,8)25-23-53(49,3)4)41-15-19-47-45(32-41)44-31-38(37-12-10-9-11-13-37)14-18-46(44)56(47)39-27-35-26-36(29-39)30-40(56)28-35/h9-21,31-36,39-40H,22-30H2,1-8H3
InChIKeyMBVNLXFNPRTQNT-UHFFFAOYSA-N
MW750.13 g/mol
LogP15.24
Rot. Bonds4

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

6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 176595869) has the molecular formula C56H63N and a molecular weight of 750.13 g/mol. Its IUPAC name is 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound Name6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID176595869
Molecular FormulaC56H63N
Molecular Weight750.13 g/mol
Exact Mass749.50
IUPAC Name6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21
InChIInChI=1S/C56H63N/c1-52(2)22-24-54(5,6)50-33-42(16-20-48(50)52)57(43-17-21-49-51(34-43)55(7,8)25-23-53(49,3)4)41-15-19-47-45(32-41)44-31-38(37-12-10-9-11-13-37)14-18-46(44)56(47)39-27-35-26-36(29-39)30-40(56)28-35/h9-21,31-36,39-40H,22-30H2,1-8H3
InChIKeyMBVNLXFNPRTQNT-UHFFFAOYSA-N
XLogP15.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.13
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595499
7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595459
N,7'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-2'-amine
CID 176595416
5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-thioxanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176594687
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
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594795
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595143
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595545
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-thioxanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176595532
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598

Frequently Asked Questions

What is the IUPAC name of 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine (CID 176595869) is 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21.
What is the InChIKey of 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is MBVNLXFNPRTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H63N/c1-52(2)22-24-54(5,6)50-33-42(16-20-48(50)52)57(43-17-21-49-51(34-43)55(7,8)25-23-53(49,3)4)41-15-19-47-45(32-41)44-31-38(37-12-10-9-11-13-37)14-18-46(44)56(47)39-27-35-26-36(29-39)30-40(56)28-35/h9-21,31-36,39-40H,22-30H2,1-8H3.
What are the key properties of 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 750.13 g/mol, XLogP of 15.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 176595869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).