7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine

C35H31N — CID 156902961

IUPAC7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine
SMILESCC(C)(C)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N)ccc2-3)c1
InChIInChI=1S/C35H31N/c1-34(2,3)28-16-10-11-24(21-28)25-17-19-30-31-20-18-29(36)23-33(31)35(32(30)22-25,26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-23H,36H2,1-3H3
InChIKeyZHHLZONBIZGTQP-UHFFFAOYSA-N
MW465.64 g/mol
LogP8.60
Rot. Bonds3

About 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine

7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 156902961) has the molecular formula C35H31N and a molecular weight of 465.64 g/mol. Its IUPAC name is 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID156902961
Molecular FormulaC35H31N
Molecular Weight465.64 g/mol
Exact Mass465.25
IUPAC Name7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine
SMILESCC(C)(C)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N)ccc2-3)c1
InChIInChI=1S/C35H31N/c1-34(2,3)28-16-10-11-24(21-28)25-17-19-30-31-20-18-29(36)23-33(31)35(32(30)22-25,26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-23H,36H2,1-3H3
InChIKeyZHHLZONBIZGTQP-UHFFFAOYSA-N
XLogP8.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine 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

9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176622694
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-diphenylbenzo[b]fluoren-2-yl]aniline
CID 163420554
2-iodo-7,9,9-triphenylfluorene
CID 149383994
2,7-ditert-butyl-1'-(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 141125012

Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine (CID 156902961) is 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine is CC(C)(C)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N)ccc2-3)c1.
What is the InChIKey of 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is ZHHLZONBIZGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N/c1-34(2,3)28-16-10-11-24(21-28)25-17-19-30-31-20-18-29(36)23-33(31)35(32(30)22-25,26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-23H,36H2,1-3H3.
What are the key properties of 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine?
7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 465.64 g/mol, XLogP of 8.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 156902961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).