3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline

C65H73N — CID 58389712

IUPAC3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
SMILESCc1c(-c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C65H73N/c1-40-54(41-18-30-50-52-32-24-45(62(8,9)10)36-58(52)64(14,15)56(50)34-41)38-49(66(47-26-20-43(21-27-47)60(2,3)4)48-28-22-44(23-29-48)61(5,6)7)39-55(40)42-19-31-51-53-33-25-46(63(11,12)13)37-59(53)65(16,17)57(51)35-42/h18-39H,1-17H3
InChIKeyZICLZQOYGFLEGD-UHFFFAOYSA-N
MW868.31 g/mol
LogP18.60
Rot. Bonds5

About 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline

3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline (PubChem CID 58389712) has the molecular formula C65H73N and a molecular weight of 868.31 g/mol. Its IUPAC name is 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline.

Molecular Properties

Compound Name3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
PubChem CID58389712
Molecular FormulaC65H73N
Molecular Weight868.31 g/mol
Exact Mass867.57
IUPAC Name3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
SMILESCc1c(-c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C65H73N/c1-40-54(41-18-30-50-52-32-24-45(62(8,9)10)36-58(52)64(14,15)56(50)34-41)38-49(66(47-26-20-43(21-27-47)60(2,3)4)48-28-22-44(23-29-48)61(5,6)7)39-55(40)42-19-31-51-53-33-25-46(63(11,12)13)37-59(53)65(16,17)57(51)35-42/h18-39H,1-17H3
InChIKeyZICLZQOYGFLEGD-UHFFFAOYSA-N
XLogP18.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.31
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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
4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389679
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
CID 59510924
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718
7-(7-tert-butyl-1-methylpyren-4-yl)-N,N-bis(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 146340572
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 142508836
2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
CID 122416670

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline?
The IUPAC name of 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline (CID 58389712) is 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline.
What is the SMILES notation for 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline?
The canonical SMILES for 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline is Cc1c(-c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline?
The InChIKey is ZICLZQOYGFLEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H73N/c1-40-54(41-18-30-50-52-32-24-45(62(8,9)10)36-58(52)64(14,15)56(50)34-41)38-49(66(47-26-20-43(21-27-47)60(2,3)4)48-28-22-44(23-29-48)61(5,6)7)39-55(40)42-19-31-51-53-33-25-46(63(11,12)13)37-59(53)65(16,17)57(51)35-42/h18-39H,1-17H3.
What are the key properties of 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline?
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline has a molecular weight of 868.31 g/mol, XLogP of 18.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline is sourced from PubChem (CID 58389712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).