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

C57H57N — CID 58389703

IUPACN,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline
SMILESCc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C57H57N/c1-36-48(37-20-30-46-44-16-12-14-18-50(44)56(8,9)52(46)32-37)34-43(35-49(36)38-21-31-47-45-17-13-15-19-51(45)57(10,11)53(47)33-38)58(41-26-22-39(23-27-41)54(2,3)4)42-28-24-40(25-29-42)55(5,6)7/h12-35H,1-11H3
InChIKeyIJCCYJUPHZWCPJ-UHFFFAOYSA-N
MW756.09 g/mol
LogP16.01
Rot. Bonds5

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

N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline (PubChem CID 58389703) has the molecular formula C57H57N and a molecular weight of 756.09 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline
PubChem CID58389703
Molecular FormulaC57H57N
Molecular Weight756.09 g/mol
Exact Mass755.45
IUPAC NameN,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline
SMILESCc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C57H57N/c1-36-48(37-20-30-46-44-16-12-14-18-50(44)56(8,9)52(46)32-37)34-43(35-49(36)38-21-31-47-45-17-13-15-19-51(45)57(10,11)53(47)33-38)58(41-26-22-39(23-27-41)54(2,3)4)42-28-24-40(25-29-42)55(5,6)7/h12-35H,1-11H3
InChIKeyIJCCYJUPHZWCPJ-UHFFFAOYSA-N
XLogP16.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.09
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
CID 58389712
4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389679
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
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
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-(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,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
CID 58389704
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline (CID 58389703) is N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline is Cc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline?
The InChIKey is IJCCYJUPHZWCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H57N/c1-36-48(37-20-30-46-44-16-12-14-18-50(44)56(8,9)52(46)32-37)34-43(35-49(36)38-21-31-47-45-17-13-15-19-51(45)57(10,11)53(47)33-38)58(41-26-22-39(23-27-41)54(2,3)4)42-28-24-40(25-29-42)55(5,6)7/h12-35H,1-11H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline?
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline has a molecular weight of 756.09 g/mol, XLogP of 16.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline is sourced from PubChem (CID 58389703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).