N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine

C62H49N — CID 170117277

IUPACN-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C62H49N/c1-2-16-45(17-3-1)51-19-6-7-20-52(51)53-21-8-9-22-54(53)55-23-11-13-27-59(55)63(50-33-31-44(32-34-50)47-30-29-43-15-4-5-18-46(43)40-47)60-28-14-26-58-61(60)56-24-10-12-25-57(56)62(58)48-36-41-35-42(38-48)39-49(62)37-41/h1-34,40-42,48-49H,35-39H2
InChIKeySGHXIBXFWGYNAW-UHFFFAOYSA-N
MW808.08 g/mol
LogP16.70
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine

N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 170117277) has the molecular formula C62H49N and a molecular weight of 808.08 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID170117277
Molecular FormulaC62H49N
Molecular Weight808.08 g/mol
Exact Mass807.39
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C62H49N/c1-2-16-45(17-3-1)51-19-6-7-20-52(51)53-21-8-9-22-54(53)55-23-11-13-27-59(55)63(50-33-31-44(32-34-50)47-30-29-43-15-4-5-18-46(43)40-47)60-28-14-26-58-61(60)56-24-10-12-25-57(56)62(58)48-36-41-35-42(38-48)39-49(62)37-41/h1-34,40-42,48-49H,35-39H2
InChIKeySGHXIBXFWGYNAW-UHFFFAOYSA-N
XLogP16.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.08
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 170117281
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
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 167056455
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-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160999297
N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460
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-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971
1-N,6-N-diphenyl-6-N-spiro[adamantane-2,9'-fluorene]-3'-yl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 166050368
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
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

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine (CID 170117277) is N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is SGHXIBXFWGYNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N/c1-2-16-45(17-3-1)51-19-6-7-20-52(51)53-21-8-9-22-54(53)55-23-11-13-27-59(55)63(50-33-31-44(32-34-50)47-30-29-43-15-4-5-18-46(43)40-47)60-28-14-26-58-61(60)56-24-10-12-25-57(56)62(58)48-36-41-35-42(38-48)39-49(62)37-41/h1-34,40-42,48-49H,35-39H2.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine?
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 808.08 g/mol, XLogP of 16.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 170117277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).