N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine

C39H47N — CID 156627635

IUPACN,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1cc2c(cc1N(c1c(-c3ccccc3)cccc1C(C)(C)C)C(C)(C)C)-c1ccccc1C2(C)C
InChIInChI=1S/C39H47N/c1-36(2,3)31-23-17-21-27(26-18-13-12-14-19-26)35(31)40(38(7,8)9)34-24-29-28-20-15-16-22-30(28)39(10,11)32(29)25-33(34)37(4,5)6/h12-25H,1-11H3
InChIKeyRYAOTMSLRJYFHH-UHFFFAOYSA-N
MW529.81 g/mol
LogP11.19
Rot. Bonds3

About N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine

N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine (PubChem CID 156627635) has the molecular formula C39H47N and a molecular weight of 529.81 g/mol. Its IUPAC name is N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine
PubChem CID156627635
Molecular FormulaC39H47N
Molecular Weight529.81 g/mol
Exact Mass529.37
IUPAC NameN,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1cc2c(cc1N(c1c(-c3ccccc3)cccc1C(C)(C)C)C(C)(C)C)-c1ccccc1C2(C)C
InChIInChI=1S/C39H47N/c1-36(2,3)31-23-17-21-27(26-18-13-12-14-19-26)35(31)40(38(7,8)9)34-24-29-28-20-15-16-22-30(28)39(10,11)32(29)25-33(34)37(4,5)6/h12-25H,1-11H3
InChIKeyRYAOTMSLRJYFHH-UHFFFAOYSA-N
XLogP11.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.81
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-cyclopentyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-cyclopropyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N,2-ditert-butyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158201898
N-tert-butyl-2-(1-deuterio-4,4-dimethylcyclohexyl)-N-[2-(1-deuterio-4,4-dimethylcyclohexyl)-6-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627585
N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
CID 90264048
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 176781141
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627551
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 168750154
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

Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine (CID 156627635) is N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine is CC(C)(C)c1cc2c(cc1N(c1c(-c3ccccc3)cccc1C(C)(C)C)C(C)(C)C)-c1ccccc1C2(C)C.
What is the InChIKey of N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine?
The InChIKey is RYAOTMSLRJYFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N/c1-36(2,3)31-23-17-21-27(26-18-13-12-14-19-26)35(31)40(38(7,8)9)34-24-29-28-20-15-16-22-30(28)39(10,11)32(29)25-33(34)37(4,5)6/h12-25H,1-11H3.
What are the key properties of N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine?
N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine has a molecular weight of 529.81 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 156627635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).