N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine

C33H35N — CID 159371955

IUPACN-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine
SMILES[2H]C(C)(C)c1c(Nc2cc3c(cc2C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])-c2ccccc2C3(C)C)cccc1-c1ccccc1
InChIInChI=1S/C33H35N/c1-21(2)26-19-27-25-15-10-11-17-28(25)33(5,6)29(27)20-31(26)34-30-18-12-16-24(32(30)22(3)4)23-13-8-7-9-14-23/h7-22,34H,1-6H3/i1D3,2D3,21D,22D
InChIKeyKRVSQYXIJASOSG-CJGJEOQPSA-N
MW453.70 g/mol
LogP9.65
Rot. Bonds7

About N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine

N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 159371955) has the molecular formula C33H35N and a molecular weight of 453.70 g/mol. Its IUPAC name is N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID159371955
Molecular FormulaC33H35N
Molecular Weight453.70 g/mol
Exact Mass453.33
IUPAC NameN-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine
SMILES[2H]C(C)(C)c1c(Nc2cc3c(cc2C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])-c2ccccc2C3(C)C)cccc1-c1ccccc1
InChIInChI=1S/C33H35N/c1-21(2)26-19-27-25-15-10-11-17-28(25)33(5,6)29(27)20-31(26)34-30-18-12-16-24(32(30)22(3)4)23-13-8-7-9-14-23/h7-22,34H,1-6H3/i1D3,2D3,21D,22D
InChIKeyKRVSQYXIJASOSG-CJGJEOQPSA-N
XLogP9.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.70
LogP ≤ 59.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-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

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
9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
CID 174016389
CID 174016389
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439
9,9-dimethyl-N-(4-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine
CID 164550724
N-(4-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139400666

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine (CID 159371955) is N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine is [2H]C(C)(C)c1c(Nc2cc3c(cc2C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])-c2ccccc2C3(C)C)cccc1-c1ccccc1.
What is the InChIKey of N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is KRVSQYXIJASOSG-CJGJEOQPSA-N. The full InChI is InChI=1S/C33H35N/c1-21(2)26-19-27-25-15-10-11-17-28(25)33(5,6)29(27)20-31(26)34-30-18-12-16-24(32(30)22(3)4)23-13-8-7-9-14-23/h7-22,34H,1-6H3/i1D3,2D3,21D,22D.
What are the key properties of N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine?
N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 453.70 g/mol, XLogP of 9.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 159371955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).