4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline

C60H63N — CID 58389679

IUPAC4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C(C)(C)C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1
InChIInChI=1S/C60H63N/c1-56(2,3)40-24-28-42(29-25-40)61(43-30-26-41(27-31-43)57(4,5)6)44-36-49(38-22-32-47-45-18-14-16-20-51(45)59(10,11)53(47)34-38)55(58(7,8)9)50(37-44)39-23-33-48-46-19-15-17-21-52(46)60(12,13)54(48)35-39/h14-37H,1-13H3
InChIKeyASPSOGNVXJVBNE-UHFFFAOYSA-N
MW798.17 g/mol
LogP17.00
Rot. Bonds5

About 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline

4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline (PubChem CID 58389679) has the molecular formula C60H63N and a molecular weight of 798.17 g/mol. Its IUPAC name is 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
PubChem CID58389679
Molecular FormulaC60H63N
Molecular Weight798.17 g/mol
Exact Mass797.50
IUPAC Name4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C(C)(C)C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1
InChIInChI=1S/C60H63N/c1-56(2,3)40-24-28-42(29-25-40)61(43-30-26-41(27-31-43)57(4,5)6)44-36-49(38-22-32-47-45-18-14-16-20-51(45)59(10,11)53(47)34-38)55(58(7,8)9)50(37-44)39-23-33-48-46-19-15-17-21-52(46)60(12,13)54(48)35-39/h14-37H,1-13H3
InChIKeyASPSOGNVXJVBNE-UHFFFAOYSA-N
XLogP17.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.17
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline
CID 58389703
4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline
CID 58389605
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
N-[3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-4-methylphenyl]-7-tert-butyl-9,9-dimethyl-N-phenylfluoren-2-amine;7-tert-butyl-N-[4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 158494955
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
CID 58389712
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89074314
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline?
The IUPAC name of 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline (CID 58389679) is 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline.
What is the SMILES notation for 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline?
The canonical SMILES for 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C(C)(C)C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1.
What is the InChIKey of 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline?
The InChIKey is ASPSOGNVXJVBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H63N/c1-56(2,3)40-24-28-42(29-25-40)61(43-30-26-41(27-31-43)57(4,5)6)44-36-49(38-22-32-47-45-18-14-16-20-51(45)59(10,11)53(47)34-38)55(58(7,8)9)50(37-44)39-23-33-48-46-19-15-17-21-52(46)60(12,13)54(48)35-39/h14-37H,1-13H3.
What are the key properties of 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline?
4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline has a molecular weight of 798.17 g/mol, XLogP of 17.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline is sourced from PubChem (CID 58389679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).