1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

C35H39N — CID 172803481

IUPAC1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(-c3c(N)ccc4c3C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C35H39N/c1-33(2,3)25-19-24(20-26(21-25)34(4,5)6)22-13-15-23(16-14-22)31-30(36)18-17-28-27-11-9-10-12-29(27)35(7,8)32(28)31/h9-21H,36H2,1-8H3
InChIKeyREMFEEPUPXEKGY-UHFFFAOYSA-N
MW473.70 g/mol
LogP9.50
Rot. Bonds2

About 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 172803481) has the molecular formula C35H39N and a molecular weight of 473.70 g/mol. Its IUPAC name is 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID172803481
Molecular FormulaC35H39N
Molecular Weight473.70 g/mol
Exact Mass473.31
IUPAC Name1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(-c3c(N)ccc4c3C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C35H39N/c1-33(2,3)25-19-24(20-26(21-25)34(4,5)6)22-13-15-23(16-14-22)31-30(36)18-17-28-27-11-9-10-12-29(27)35(7,8)32(28)31/h9-21H,36H2,1-8H3
InChIKeyREMFEEPUPXEKGY-UHFFFAOYSA-N
XLogP9.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.70
LogP ≤ 59.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
2,7-ditert-butyl-1'-(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 141125012
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-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 158277620
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215483
N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
CID 155760461
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
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-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 164529126
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170216306
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 161118232
3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
CID 90264105

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 172803481) is 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2ccc(-c3c(N)ccc4c3C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is REMFEEPUPXEKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N/c1-33(2,3)25-19-24(20-26(21-25)34(4,5)6)22-13-15-23(16-14-22)31-30(36)18-17-28-27-11-9-10-12-29(27)35(7,8)32(28)31/h9-21H,36H2,1-8H3.
What are the key properties of 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 473.70 g/mol, XLogP of 9.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 172803481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).