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

C48H49N — CID 176594990

IUPACN,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccccc5)c3C43C4CC5CC(C4)CC3C5)cccc21
InChIInChI=1S/C48H49N/c1-46(2)24-25-47(3,4)45-40(46)21-13-23-42(45)49(36-16-9-6-10-17-36)41-22-12-20-39-43(41)38-19-11-18-37(33-14-7-5-8-15-33)44(38)48(39)34-27-31-26-32(29-34)30-35(48)28-31/h5-23,31-32,34-35H,24-30H2,1-4H3
InChIKeyGZSNIWJLFQBTEP-UHFFFAOYSA-N
MW639.93 g/mol
LogP12.90
Rot. Bonds4

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

N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 176594990) has the molecular formula C48H49N and a molecular weight of 639.93 g/mol. Its IUPAC name is N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID176594990
Molecular FormulaC48H49N
Molecular Weight639.93 g/mol
Exact Mass639.39
IUPAC NameN,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccccc5)c3C43C4CC5CC(C4)CC3C5)cccc21
InChIInChI=1S/C48H49N/c1-46(2)24-25-47(3,4)45-40(46)21-13-23-42(45)49(36-16-9-6-10-17-36)41-22-12-20-39-43(41)38-19-11-18-37(33-14-7-5-8-15-33)44(38)48(39)34-27-31-26-32(29-34)30-35(48)28-31/h5-23,31-32,34-35H,24-30H2,1-4H3
InChIKeyGZSNIWJLFQBTEP-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

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-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 176595774
N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595500
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
N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176594924
N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-thioxanthene]-3'-amine
CID 176595354
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-[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
1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176596097
5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
CID 176595471
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-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567982

Frequently Asked Questions

What is the IUPAC name of N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (CID 176594990) is N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is CC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccccc5)c3C43C4CC5CC(C4)CC3C5)cccc21.
What is the InChIKey of N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is GZSNIWJLFQBTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49N/c1-46(2)24-25-47(3,4)45-40(46)21-13-23-42(45)49(36-16-9-6-10-17-36)41-22-12-20-39-43(41)38-19-11-18-37(33-14-7-5-8-15-33)44(38)48(39)34-27-31-26-32(29-34)30-35(48)28-31/h5-23,31-32,34-35H,24-30H2,1-4H3.
What are the key properties of N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-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,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 176594990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).