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

C56H55N — CID 58389668

IUPACN,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)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1
InChIInChI=1S/C56H55N/c1-53(2,3)40-21-25-42(26-22-40)57(43-27-23-41(24-28-43)54(4,5)6)44-32-38(36-19-29-47-45-15-11-13-17-49(45)55(7,8)51(47)34-36)31-39(33-44)37-20-30-48-46-16-12-14-18-50(46)56(9,10)52(48)35-37/h11-35H,1-10H3
InChIKeyFHYSIAHBEKLVPM-UHFFFAOYSA-N
MW742.06 g/mol
LogP15.70
Rot. Bonds5

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

N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline (PubChem CID 58389668) has the molecular formula C56H55N and a molecular weight of 742.06 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
PubChem CID58389668
Molecular FormulaC56H55N
Molecular Weight742.06 g/mol
Exact Mass741.43
IUPAC NameN,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)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1
InChIInChI=1S/C56H55N/c1-53(2,3)40-21-25-42(26-22-40)57(43-27-23-41(24-28-43)54(4,5)6)44-32-38(36-19-29-47-45-15-11-13-17-49(45)55(7,8)51(47)34-36)31-39(33-44)37-20-30-48-46-16-12-14-18-50(46)56(9,10)52(48)35-37/h11-35H,1-10H3
InChIKeyFHYSIAHBEKLVPM-UHFFFAOYSA-N
XLogP15.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.06
LogP ≤ 515.70
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-phenylphenyl)aniline
CID 58389701
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)-4-methylaniline
CID 58389703
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 158277620
3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
CID 58389731
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(3-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160536709
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159398373
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
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,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
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-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline (CID 58389668) is N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline?
The canonical SMILES for 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)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline?
The InChIKey is FHYSIAHBEKLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H55N/c1-53(2,3)40-21-25-42(26-22-40)57(43-27-23-41(24-28-43)54(4,5)6)44-32-38(36-19-29-47-45-15-11-13-17-49(45)55(7,8)51(47)34-36)31-39(33-44)37-20-30-48-46-16-12-14-18-50(46)56(9,10)52(48)35-37/h11-35H,1-10H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline?
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline has a molecular weight of 742.06 g/mol, XLogP of 15.70, 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)aniline is sourced from PubChem (CID 58389668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).