N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine

C43H51N — CID 156627708

IUPACN-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine
SMILES[2H]C1(c2ccc(-c3ccccc3)cc2N(c2cc3c(cc2C2([2H])CCCCC2)C(C)(C)c2ccccc2-3)C(C)(C)C)CCCCC1
InChIInChI=1S/C43H51N/c1-42(2,3)44(40-27-33(30-17-9-6-10-18-30)25-26-34(40)31-19-11-7-12-20-31)41-29-37-35-23-15-16-24-38(35)43(4,5)39(37)28-36(41)32-21-13-8-14-22-32/h6,9-10,15-18,23-29,31-32H,7-8,11-14,19-22H2,1-5H3/i31D,32D
InChIKeyMHPXSXXNYURKIF-AMJIZYTBSA-N
MW583.90 g/mol
LogP12.69
Rot. Bonds5

About N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine

N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 156627708) has the molecular formula C43H51N and a molecular weight of 583.90 g/mol. Its IUPAC name is N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine
PubChem CID156627708
Molecular FormulaC43H51N
Molecular Weight583.90 g/mol
Exact Mass583.41
IUPAC NameN-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine
SMILES[2H]C1(c2ccc(-c3ccccc3)cc2N(c2cc3c(cc2C2([2H])CCCCC2)C(C)(C)c2ccccc2-3)C(C)(C)C)CCCCC1
InChIInChI=1S/C43H51N/c1-42(2,3)44(40-27-33(30-17-9-6-10-18-30)25-26-34(40)31-19-11-7-12-20-31)41-29-37-35-23-15-16-24-38(35)43(4,5)39(37)28-36(41)32-21-13-8-14-22-32/h6,9-10,15-18,23-29,31-32H,7-8,11-14,19-22H2,1-5H3/i31D,32D
InChIKeyMHPXSXXNYURKIF-AMJIZYTBSA-N
XLogP12.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.90
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627551
N-tert-butyl-2-(1-deuterio-4,4-dimethylcyclohexyl)-N-[2-(1-deuterio-4,4-dimethylcyclohexyl)-4-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627705
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-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-3-cyclohexyl-N-(2-cyclohexyl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine;3-cyclopentyl-N-(2-cyclopentyl-4-phenylphenyl)-9,9-dimethyl-N-propan-2-ylfluoren-2-amine;3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)-4-phenylphenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine
CID 159578288
N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627586
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
N-tert-butyl-7-cyclohexyl-3,9,9-trimethyl-N-(2-methyl-5-phenylphenyl)fluoren-2-amine;N-tert-butyl-7-fluoro-3,9,9-trimethyl-N-(2-methyl-5-phenylphenyl)fluoren-2-amine;N-tert-butyl-3,9,9-trimethyl-N-(2-methyl-5-phenylphenyl)-7-phenylfluoren-2-amine
CID 158169336
N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 156627749
N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 177124721
3-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine;3-(1-deuteriocyclopentyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine;3-(1-deuteriocyclopropyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine;3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine;tris(2-methylpropane);propane
CID 158373438

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine (CID 156627708) is N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine is [2H]C1(c2ccc(-c3ccccc3)cc2N(c2cc3c(cc2C2([2H])CCCCC2)C(C)(C)c2ccccc2-3)C(C)(C)C)CCCCC1.
What is the InChIKey of N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is MHPXSXXNYURKIF-AMJIZYTBSA-N. The full InChI is InChI=1S/C43H51N/c1-42(2,3)44(40-27-33(30-17-9-6-10-18-30)25-26-34(40)31-19-11-7-12-20-31)41-29-37-35-23-15-16-24-38(35)43(4,5)39(37)28-36(41)32-21-13-8-14-22-32/h6,9-10,15-18,23-29,31-32H,7-8,11-14,19-22H2,1-5H3/i31D,32D.
What are the key properties of N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine?
N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine has a molecular weight of 583.90 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 156627708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).