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

C48H49N — CID 176594820

IUPACN,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccc(-c6ccccc6)c5-4)C4CC5CC(C4)CC3C5)ccc21
InChIInChI=1S/C48H49N/c1-46(2)22-23-47(3,4)44-30-38(19-21-41(44)46)49(36-14-9-6-10-15-36)37-18-20-40-43(29-37)48(34-25-31-24-32(27-34)28-35(48)26-31)42-17-11-16-39(45(40)42)33-12-7-5-8-13-33/h5-21,29-32,34-35H,22-28H2,1-4H3
InChIKeyDQSGBWXDOMQZAA-UHFFFAOYSA-N
MW639.93 g/mol
LogP12.90
Rot. Bonds4

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

N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 176594820) has the molecular formula C48H49N and a molecular weight of 639.93 g/mol. Its IUPAC name is N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID176594820
Molecular FormulaC48H49N
Molecular Weight639.93 g/mol
Exact Mass639.39
IUPAC NameN,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccc(-c6ccccc6)c5-4)C4CC5CC(C4)CC3C5)ccc21
InChIInChI=1S/C48H49N/c1-46(2)22-23-47(3,4)44-30-38(19-21-41(44)46)49(36-14-9-6-10-15-36)37-18-20-40-43(29-37)48(34-25-31-24-32(27-34)28-35(48)26-31)42-17-11-16-39(45(40)42)33-12-7-5-8-13-33/h5-21,29-32,34-35H,22-28H2,1-4H3
InChIKeyDQSGBWXDOMQZAA-UHFFFAOYSA-N
XLogP12.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.93
LogP ≤ 512.90
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
1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595793
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
5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-3'-amine
CID 176595118
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176596011
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
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
5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176595119
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
N-(4-methylphenyl)-N-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline
CID 158686920
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
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

Frequently Asked Questions

What is the IUPAC name of N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 176594820) is N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccc(-c6ccccc6)c5-4)C4CC5CC(C4)CC3C5)ccc21.
What is the InChIKey of N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is DQSGBWXDOMQZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49N/c1-46(2)22-23-47(3,4)44-30-38(19-21-41(44)46)49(36-14-9-6-10-15-36)37-18-20-40-43(29-37)48(34-25-31-24-32(27-34)28-35(48)26-31)42-17-11-16-39(45(40)42)33-12-7-5-8-13-33/h5-21,29-32,34-35H,22-28H2,1-4H3.
What are the key properties of N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 639.93 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 176594820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).