N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine

C27H31N — CID 156627671

IUPACN-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine
SMILES[2H]C(C)c1cc2c(cc1N(c1ccccc1)C(C)(C)C)-c1ccccc1C2(C)C
InChIInChI=1S/C27H31N/c1-7-19-17-24-22(21-15-11-12-16-23(21)27(24,5)6)18-25(19)28(26(2,3)4)20-13-9-8-10-14-20/h8-18H,7H2,1-6H3/i7D
InChIKeyIMRWCDSUWAVVLC-WHRKIXHSSA-N
MW370.56 g/mol
LogP7.49
Rot. Bonds3

About N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine

N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine (PubChem CID 156627671) has the molecular formula C27H31N and a molecular weight of 370.56 g/mol. Its IUPAC name is N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine
PubChem CID156627671
Molecular FormulaC27H31N
Molecular Weight370.56 g/mol
Exact Mass370.25
IUPAC NameN-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine
SMILES[2H]C(C)c1cc2c(cc1N(c1ccccc1)C(C)(C)C)-c1ccccc1C2(C)C
InChIInChI=1S/C27H31N/c1-7-19-17-24-22(21-15-11-12-16-23(21)27(24,5)6)18-25(19)28(26(2,3)4)20-13-9-8-10-14-20/h8-18H,7H2,1-6H3/i7D
InChIKeyIMRWCDSUWAVVLC-WHRKIXHSSA-N
XLogP7.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627701
N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine
CID 156627665
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine
CID 156627556
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine
CID 156627564
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 156627635
N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 177281251

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine?
The IUPAC name of N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine (CID 156627671) is N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine.
What is the SMILES notation for N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine?
The canonical SMILES for N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine is [2H]C(C)c1cc2c(cc1N(c1ccccc1)C(C)(C)C)-c1ccccc1C2(C)C.
What is the InChIKey of N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine?
The InChIKey is IMRWCDSUWAVVLC-WHRKIXHSSA-N. The full InChI is InChI=1S/C27H31N/c1-7-19-17-24-22(21-15-11-12-16-23(21)27(24,5)6)18-25(19)28(26(2,3)4)20-13-9-8-10-14-20/h8-18H,7H2,1-6H3/i7D.
What are the key properties of N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine?
N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine has a molecular weight of 370.56 g/mol, XLogP of 7.49, 3 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-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine is sourced from PubChem (CID 156627671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).