2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C73H65N — CID 167413771

IUPAC2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c4)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C73H65N/c1-70(2,3)50-28-32-60-61-33-29-51(71(4,5)6)43-67(61)73(66(60)42-50)64-25-14-11-23-58(64)62-34-30-55(44-68(62)73)74(69-26-15-12-21-56(69)47-17-8-7-9-18-47)54-20-16-19-48(40-54)49-27-31-59-57-22-10-13-24-63(57)72(65(59)41-49)52-36-45-35-46(38-52)39-53(72)37-45/h7-34,40-46,52-53H,35-39H2,1-6H3
InChIKeyBKLQHPDOFUWYDA-UHFFFAOYSA-N
MW956.33 g/mol
LogP19.15
Rot. Bonds5

About 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167413771) has the molecular formula C73H65N and a molecular weight of 956.33 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID167413771
Molecular FormulaC73H65N
Molecular Weight956.33 g/mol
Exact Mass955.51
IUPAC Name2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c4)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C73H65N/c1-70(2,3)50-28-32-60-61-33-29-51(71(4,5)6)43-67(61)73(66(60)42-50)64-25-14-11-23-58(64)62-34-30-55(44-68(62)73)74(69-26-15-12-21-56(69)47-17-8-7-9-18-47)54-20-16-19-48(40-54)49-27-31-59-57-22-10-13-24-63(57)72(65(59)41-49)52-36-45-35-46(38-52)39-53(72)37-45/h7-34,40-46,52-53H,35-39H2,1-6H3
InChIKeyBKLQHPDOFUWYDA-UHFFFAOYSA-N
XLogP19.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.33
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine
CID 155407257
2,7-ditert-butyl-10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[anthracene-9,9'-fluorene]-1'-amine
CID 167413683
6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
CID 167413746
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 174309937
6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168734200
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773
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

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 167413771) is 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c4)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is BKLQHPDOFUWYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H65N/c1-70(2,3)50-28-32-60-61-33-29-51(71(4,5)6)43-67(61)73(66(60)42-50)64-25-14-11-23-58(64)62-34-30-55(44-68(62)73)74(69-26-15-12-21-56(69)47-17-8-7-9-18-47)54-20-16-19-48(40-54)49-27-31-59-57-22-10-13-24-63(57)72(65(59)41-49)52-36-45-35-46(38-52)39-53(72)37-45/h7-34,40-46,52-53H,35-39H2,1-6H3.
What are the key properties of 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 956.33 g/mol, XLogP of 19.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167413771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).