N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane

C33H27N — CID 161082547

IUPACN-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane
SMILESC.[2H]c1ccc(N(C)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C32H23N.CH4/c1-33(22-11-3-2-4-12-22)23-19-20-27-26-15-7-10-18-30(26)32(31(27)21-23)28-16-8-5-13-24(28)25-14-6-9-17-29(25)32;/h2-21H,1H3;1H4/i2D;
InChIKeyUGCCMTNOHUXKEV-YPAXDSTQSA-N
MW438.59 g/mol
LogP8.43
Rot. Bonds2

About N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane

N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane (PubChem CID 161082547) has the molecular formula C33H27N and a molecular weight of 438.59 g/mol. Its IUPAC name is N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane.

Molecular Properties

Compound NameN-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane
PubChem CID161082547
Molecular FormulaC33H27N
Molecular Weight438.59 g/mol
Exact Mass438.22
IUPAC NameN-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane
SMILESC.[2H]c1ccc(N(C)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C32H23N.CH4/c1-33(22-11-3-2-4-12-22)23-19-20-27-26-15-7-10-18-30(26)32(31(27)21-23)28-16-8-5-13-24(28)25-14-6-9-17-29(25)32;/h2-21H,1H3;1H4/i2D;
InChIKeyUGCCMTNOHUXKEV-YPAXDSTQSA-N
XLogP8.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane 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-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 160681828
2'-deuterio-9,9'-spirobi[fluorene]
CID 100957959
1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)naphthalene-1,4-diamine;N-methyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 158675579
N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 23150330
N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59211114
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine
CID 164783967
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480618
dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480603
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791364

Frequently Asked Questions

What is the IUPAC name of N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane?
The IUPAC name of N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane (CID 161082547) is N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane.
What is the SMILES notation for N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane?
The canonical SMILES for N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane is C.[2H]c1ccc(N(C)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane?
The InChIKey is UGCCMTNOHUXKEV-YPAXDSTQSA-N. The full InChI is InChI=1S/C32H23N.CH4/c1-33(22-11-3-2-4-12-22)23-19-20-27-26-15-7-10-18-30(26)32(31(27)21-23)28-16-8-5-13-24(28)25-14-6-9-17-29(25)32;/h2-21H,1H3;1H4/i2D;.
What are the key properties of N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane?
N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane has a molecular weight of 438.59 g/mol, XLogP of 8.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane is sourced from PubChem (CID 161082547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).