N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline

C62H59N — CID 170216306

IUPACN-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c2)c2ccccc2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(C(C)(C)C)c1
InChIInChI=1S/C62H59N/c1-59(2,3)43-35-42(36-44(39-43)60(4,5)6)47-24-14-18-32-57(47)63(45-22-19-21-40(37-45)48-27-20-28-52-50-26-12-16-30-54(50)62(9,10)58(48)52)56-31-17-13-23-46(56)41-33-34-51-49-25-11-15-29-53(49)61(7,8)55(51)38-41/h11-39H,1-10H3
InChIKeyDJIUSKMBVDCZBW-UHFFFAOYSA-N
MW818.16 g/mol
LogP17.36
Rot. Bonds6

About N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline

N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline (PubChem CID 170216306) has the molecular formula C62H59N and a molecular weight of 818.16 g/mol. Its IUPAC name is N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
PubChem CID170216306
Molecular FormulaC62H59N
Molecular Weight818.16 g/mol
Exact Mass817.46
IUPAC NameN-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c2)c2ccccc2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(C(C)(C)C)c1
InChIInChI=1S/C62H59N/c1-59(2,3)43-35-42(36-44(39-43)60(4,5)6)47-24-14-18-32-57(47)63(45-22-19-21-40(37-45)48-27-20-28-52-50-26-12-16-30-54(50)62(9,10)58(48)52)56-31-17-13-23-46(56)41-33-34-51-49-25-11-15-29-53(49)61(7,8)55(51)38-41/h11-39H,1-10H3
InChIKeyDJIUSKMBVDCZBW-UHFFFAOYSA-N
XLogP17.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.16
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215483
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438
N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[2-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 159546850
N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216343
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 170215574
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217441
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216369
N-[5-tert-butyl-3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[5-tert-butyl-3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 158181473
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217313
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160831639
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170293567

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The IUPAC name of N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline (CID 170216306) is N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline.
What is the SMILES notation for N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The canonical SMILES for N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline is CC(C)(C)c1cc(-c2ccccc2N(c2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c2)c2ccccc2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The InChIKey is DJIUSKMBVDCZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H59N/c1-59(2,3)43-35-42(36-44(39-43)60(4,5)6)47-24-14-18-32-57(47)63(45-22-19-21-40(37-45)48-27-20-28-52-50-26-12-16-30-54(50)62(9,10)58(48)52)56-31-17-13-23-46(56)41-33-34-51-49-25-11-15-29-53(49)61(7,8)55(51)38-41/h11-39H,1-10H3.
What are the key properties of N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline has a molecular weight of 818.16 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline is sourced from PubChem (CID 170216306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).