7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine

C63H53N — CID 155407257

IUPAC7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc31)c1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C63H53N/c1-61(2,3)42-28-30-50-51-23-14-22-47(41-16-6-4-7-17-41)60(51)63(56(50)37-42)53-24-12-10-20-48(53)49-31-29-46(38-57(49)63)64(45-18-8-5-9-19-45)58-27-15-26-55-59(58)52-21-11-13-25-54(52)62(55)43-33-39-32-40(35-43)36-44(62)34-39/h4-31,37-40,43-44H,32-36H2,1-3H3
InChIKeyPLCAPYYOPMOBQF-UHFFFAOYSA-N
MW824.12 g/mol
LogP16.19
Rot. Bonds4

About 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine

7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155407257) has the molecular formula C63H53N and a molecular weight of 824.12 g/mol. Its IUPAC name is 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID155407257
Molecular FormulaC63H53N
Molecular Weight824.12 g/mol
Exact Mass823.42
IUPAC Name7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc31)c1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C63H53N/c1-61(2,3)42-28-30-50-51-23-14-22-47(41-16-6-4-7-17-41)60(51)63(56(50)37-42)53-24-12-10-20-48(53)49-31-29-46(38-57(49)63)64(45-18-8-5-9-19-45)58-27-15-26-55-59(58)52-21-11-13-25-54(52)62(55)43-33-39-32-40(35-43)36-44(62)34-39/h4-31,37-40,43-44H,32-36H2,1-3H3
InChIKeyPLCAPYYOPMOBQF-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.12
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413771
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
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
6-N-(9,9-dimethylfluoren-2-yl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 156533302
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722415
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168723059
1'-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 168750159
N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216687
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
6-N-(4-tert-butyl-2-phenylphenyl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-1'-ylpyrene-1,6-diamine
CID 166050321

Frequently Asked Questions

What is the IUPAC name of 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine (CID 155407257) is 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc31)c1c(-c3ccccc3)cccc1-2.
What is the InChIKey of 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is PLCAPYYOPMOBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53N/c1-61(2,3)42-28-30-50-51-23-14-22-47(41-16-6-4-7-17-41)60(51)63(56(50)37-42)53-24-12-10-20-48(53)49-31-29-46(38-57(49)63)64(45-18-8-5-9-19-45)58-27-15-26-55-59(58)52-21-11-13-25-54(52)62(55)43-33-39-32-40(35-43)36-44(62)34-39/h4-31,37-40,43-44H,32-36H2,1-3H3.
What are the key properties of 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine?
7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 824.12 g/mol, XLogP of 16.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155407257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).