N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

C61H49N — CID 174309937

IUPACN-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc3c(c2)C2(Cc4ccccc4C2)c2cc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc4-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C61H49N/c1-3-13-41(14-4-1)43-23-26-52-53-27-24-48(35-57(53)60(56(52)34-43)37-44-17-7-8-18-45(44)38-60)62(59-22-12-10-19-50(59)42-15-5-2-6-16-42)49-25-28-54-51-20-9-11-21-55(51)61(58(54)36-49)46-30-39-29-40(32-46)33-47(61)31-39/h1-28,34-36,39-40,46-47H,29-33,37-38H2
InChIKeyLQFXHUKAQKGWEP-UHFFFAOYSA-N
MW796.07 g/mol
LogP15.28
Rot. Bonds5

About N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 174309937) has the molecular formula C61H49N and a molecular weight of 796.07 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID174309937
Molecular FormulaC61H49N
Molecular Weight796.07 g/mol
Exact Mass795.39
IUPAC NameN-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc3c(c2)C2(Cc4ccccc4C2)c2cc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc4-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C61H49N/c1-3-13-41(14-4-1)43-23-26-52-53-27-24-48(35-57(53)60(56(52)34-43)37-44-17-7-8-18-45(44)38-60)62(59-22-12-10-19-50(59)42-15-5-2-6-16-42)49-25-28-54-51-20-9-11-21-55(51)61(58(54)36-49)46-30-39-29-40(32-46)33-47(61)31-39/h1-28,34-36,39-40,46-47H,29-33,37-38H2
InChIKeyLQFXHUKAQKGWEP-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.07
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722342
N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine
CID 167413813
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393870
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413771
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217031

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 174309937) is N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccc3c(c2)C2(Cc4ccccc4C2)c2cc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc4-c4ccccc4)ccc2-3)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is LQFXHUKAQKGWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N/c1-3-13-41(14-4-1)43-23-26-52-53-27-24-48(35-57(53)60(56(52)34-43)37-44-17-7-8-18-45(44)38-60)62(59-22-12-10-19-50(59)42-15-5-2-6-16-42)49-25-28-54-51-20-9-11-21-55(51)61(58(54)36-49)46-30-39-29-40(32-46)33-47(61)31-39/h1-28,34-36,39-40,46-47H,29-33,37-38H2.
What are the key properties of N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 796.07 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 174309937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).