3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine

C28H33N — CID 156627556

IUPAC3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine
SMILES[2H]C(C)c1ccccc1N(c1cc2c(cc1C([2H])C)-c1ccccc1C2(C)C)C(C)C
InChIInChI=1S/C28H33N/c1-7-20-13-9-12-16-26(20)29(19(3)4)27-18-25-23(17-21(27)8-2)22-14-10-11-15-24(22)28(25,5)6/h9-19H,7-8H2,1-6H3/i7D,8D
InChIKeyIOZCMOAHTSHKKF-QTQOOCSTSA-N
MW385.59 g/mol
LogP7.66
Rot. Bonds5

About 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine

3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine (PubChem CID 156627556) has the molecular formula C28H33N and a molecular weight of 385.59 g/mol. Its IUPAC name is 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine.

Molecular Properties

Compound Name3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine
PubChem CID156627556
Molecular FormulaC28H33N
Molecular Weight385.59 g/mol
Exact Mass385.27
IUPAC Name3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine
SMILES[2H]C(C)c1ccccc1N(c1cc2c(cc1C([2H])C)-c1ccccc1C2(C)C)C(C)C
InChIInChI=1S/C28H33N/c1-7-20-13-9-12-16-26(20)29(19(3)4)27-18-25-23(17-21(27)8-2)22-14-10-11-15-24(22)28(25,5)6/h9-19H,7-8H2,1-6H3/i7D,8D
InChIKeyIOZCMOAHTSHKKF-QTQOOCSTSA-N
XLogP7.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-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)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 156627671
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline
CID 59307898
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-N-propan-2-ylaniline
CID 134551611
3-(2-ethylphenyl)-2,9,9-trimethylfluorene
CID 148907412
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline
CID 59307879
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one
CID 71113171
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
10,10-dimethyl-14,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 145441815
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323

Frequently Asked Questions

What is the IUPAC name of 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine?
The IUPAC name of 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine (CID 156627556) is 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine.
What is the SMILES notation for 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine?
The canonical SMILES for 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine is [2H]C(C)c1ccccc1N(c1cc2c(cc1C([2H])C)-c1ccccc1C2(C)C)C(C)C.
What is the InChIKey of 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine?
The InChIKey is IOZCMOAHTSHKKF-QTQOOCSTSA-N. The full InChI is InChI=1S/C28H33N/c1-7-20-13-9-12-16-26(20)29(19(3)4)27-18-25-23(17-21(27)8-2)22-14-10-11-15-24(22)28(25,5)6/h9-19H,7-8H2,1-6H3/i7D,8D.
What are the key properties of 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine?
3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine has a molecular weight of 385.59 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-deuterioethyl)-N-[2-(1-deuterioethyl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine is sourced from PubChem (CID 156627556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).