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

C33H35N — CID 156627701

IUPACN-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
SMILES[2H]C(C)c1c(N(c2cccc(-c3ccccc3)c2)C(C)(C)C)ccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C33H35N/c1-7-26-30(21-20-28-27-18-11-12-19-29(27)33(5,6)31(26)28)34(32(2,3)4)25-17-13-16-24(22-25)23-14-9-8-10-15-23/h8-22H,7H2,1-6H3/i7D
InChIKeyIMLIIXDSZXHPMT-WHRKIXHSSA-N
MW446.66 g/mol
LogP9.16
Rot. Bonds4

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

N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 156627701) has the molecular formula C33H35N and a molecular weight of 446.66 g/mol. Its IUPAC name is N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
PubChem CID156627701
Molecular FormulaC33H35N
Molecular Weight446.66 g/mol
Exact Mass446.28
IUPAC NameN-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
SMILES[2H]C(C)c1c(N(c2cccc(-c3ccccc3)c2)C(C)(C)C)ccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C33H35N/c1-7-26-30(21-20-28-27-18-11-12-19-29(27)33(5,6)31(26)28)34(32(2,3)4)25-17-13-16-24(22-25)23-14-9-8-10-15-23/h8-22H,7H2,1-6H3/i7D
InChIKeyIMLIIXDSZXHPMT-WHRKIXHSSA-N
XLogP9.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.66
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-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

N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine
CID 156627564
N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 156627671
N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 177100139
N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627586
N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine
CID 156627665
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139363610
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (CID 156627701) is N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is [2H]C(C)c1c(N(c2cccc(-c3ccccc3)c2)C(C)(C)C)ccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is IMLIIXDSZXHPMT-WHRKIXHSSA-N. The full InChI is InChI=1S/C33H35N/c1-7-26-30(21-20-28-27-18-11-12-19-29(27)33(5,6)31(26)28)34(32(2,3)4)25-17-13-16-24(22-25)23-14-9-8-10-15-23/h8-22H,7H2,1-6H3/i7D.
What are the key properties of N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 446.66 g/mol, XLogP of 9.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 156627701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).