5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

C68H54N2 — CID 168791853

IUPAC5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESCC(C)(C)c1cccc2c1-c1cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)cc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C68H54N2/c1-66(2,3)60-35-22-36-61-65(60)56-43-54(45-23-10-6-11-24-45)64(70(47-27-14-8-15-28-47)48-29-16-9-17-30-48)44-63(56)68(61)59-34-21-19-31-51(59)53-39-37-50(42-62(53)68)69(46-25-12-7-13-26-46)49-38-40-58-55(41-49)52-32-18-20-33-57(52)67(58,4)5/h6-44H,1-5H3
InChIKeyMJWRHZOOEMUIQK-UHFFFAOYSA-N
MW899.19 g/mol
LogP18.24
Rot. Bonds7

About 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 168791853) has the molecular formula C68H54N2 and a molecular weight of 899.19 g/mol. Its IUPAC name is 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID168791853
Molecular FormulaC68H54N2
Molecular Weight899.19 g/mol
Exact Mass898.43
IUPAC Name5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESCC(C)(C)c1cccc2c1-c1cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)cc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C68H54N2/c1-66(2,3)60-35-22-36-61-65(60)56-43-54(45-23-10-6-11-24-45)64(70(47-27-14-8-15-28-47)48-29-16-9-17-30-48)44-63(56)68(61)59-34-21-19-31-51(59)53-39-37-50(42-62(53)68)69(46-25-12-7-13-26-46)49-38-40-58-55(41-49)52-32-18-20-33-57(52)67(58,4)5/h6-44H,1-5H3
InChIKeyMJWRHZOOEMUIQK-UHFFFAOYSA-N
XLogP18.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.19
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 153433790
2-N-(9,9-diphenylfluoren-3-yl)-2-N,2-N',2-N',3'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791813
2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791748
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167232152
2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791686
N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811963
5-[4'-[3,5-bis(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 121361265
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (CID 168791853) is 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is CC(C)(C)c1cccc2c1-c1cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)cc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc21.
What is the InChIKey of 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is MJWRHZOOEMUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N2/c1-66(2,3)60-35-22-36-61-65(60)56-43-54(45-23-10-6-11-24-45)64(70(47-27-14-8-15-28-47)48-29-16-9-17-30-48)44-63(56)68(61)59-34-21-19-31-51(59)53-39-37-50(42-62(53)68)69(46-25-12-7-13-26-46)49-38-40-58-55(41-49)52-32-18-20-33-57(52)67(58,4)5/h6-44H,1-5H3.
What are the key properties of 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?
5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 899.19 g/mol, XLogP of 18.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-N'-(9,9-dimethylfluoren-3-yl)-2-N,2-N,2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 168791853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).