N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine

C34H37N — CID 156627533

IUPACN-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
SMILES[2H]C(C)(C)c1c(N(c2ccccc2-c2ccccc2)C(C)(C)C)ccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C34H37N/c1-23(2)31-30(22-21-28-32(31)26-18-11-13-19-27(26)34(28,6)7)35(33(3,4)5)29-20-14-12-17-25(29)24-15-9-8-10-16-24/h8-23H,1-7H3/i23D
InChIKeyBEPLTDKLTQWTOM-WBQFYUNPSA-N
MW460.68 g/mol
LogP9.72
Rot. Bonds4

About N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine

N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine (PubChem CID 156627533) has the molecular formula C34H37N and a molecular weight of 460.68 g/mol. Its IUPAC name is N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
PubChem CID156627533
Molecular FormulaC34H37N
Molecular Weight460.68 g/mol
Exact Mass460.30
IUPAC NameN-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
SMILES[2H]C(C)(C)c1c(N(c2ccccc2-c2ccccc2)C(C)(C)C)ccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C34H37N/c1-23(2)31-30(22-21-28-32(31)26-18-11-13-19-27(26)34(28,6)7)35(33(3,4)5)29-20-14-12-17-25(29)24-15-9-8-10-16-24/h8-23H,1-7H3/i23D
InChIKeyBEPLTDKLTQWTOM-WBQFYUNPSA-N
XLogP9.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.68
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-ethyl-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627621
N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627551
N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine
CID 156627665
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168790921
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
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-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
10,10,12,12-tetramethyl-N,5-diphenyl-N-(2-phenylphenyl)indeno[2,1-b]fluoren-7-amine
CID 171402249
N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 166028521

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine (CID 156627533) is N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine is [2H]C(C)(C)c1c(N(c2ccccc2-c2ccccc2)C(C)(C)C)ccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The InChIKey is BEPLTDKLTQWTOM-WBQFYUNPSA-N. The full InChI is InChI=1S/C34H37N/c1-23(2)31-30(22-21-28-32(31)26-18-11-13-19-27(26)34(28,6)7)35(33(3,4)5)29-20-14-12-17-25(29)24-15-9-8-10-16-24/h8-23H,1-7H3/i23D.
What are the key properties of N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine has a molecular weight of 460.68 g/mol, XLogP of 9.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 156627533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).