(2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine

C35H31N3 — CID 118449545

IUPAC(2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N[C@@H]3C(c4ccccc4)N3c3ccccc3N)c(-c3ccccc3)cc21
InChIInChI=1S/C35H31N3/c1-35(2)28-18-10-9-17-25(28)27-22-31(26(21-29(27)35)23-13-5-3-6-14-23)37-34-33(24-15-7-4-8-16-24)38(34)32-20-12-11-19-30(32)36/h3-22,33-34,37H,36H2,1-2H3/t33?,34-,38?/m0/s1
InChIKeyLXMPYSQLRKKPLW-GYSWBSHDSA-N
MW493.65 g/mol
LogP8.24
Rot. Bonds5

About (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine

(2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine (PubChem CID 118449545) has the molecular formula C35H31N3 and a molecular weight of 493.65 g/mol. Its IUPAC name is (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine
PubChem CID118449545
Molecular FormulaC35H31N3
Molecular Weight493.65 g/mol
Exact Mass493.25
IUPAC Name(2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N[C@@H]3C(c4ccccc4)N3c3ccccc3N)c(-c3ccccc3)cc21
InChIInChI=1S/C35H31N3/c1-35(2)28-18-10-9-17-25(28)27-22-31(26(21-29(27)35)23-13-5-3-6-14-23)37-34-33(24-15-7-4-8-16-24)38(34)32-20-12-11-19-30(32)36/h3-22,33-34,37H,36H2,1-2H3/t33?,34-,38?/m0/s1
InChIKeyLXMPYSQLRKKPLW-GYSWBSHDSA-N
XLogP8.24
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-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

(2S)-1-(2-aminophenyl)-N-[4-[(3S)-3-methyl-5-phenylcyclohexa-1,5-dien-1-yl]-2-(4-phenylphenyl)phenyl]-3-phenylaziridin-2-amine
CID 121356848
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
2-(2,6-diphenylphenyl)-12,12,20,20-tetramethyl-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 126612072
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
CID 126612073
CID 126612073
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139400666
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
CID 59782340

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine?
The IUPAC name of (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine (CID 118449545) is (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine.
What is the SMILES notation for (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine?
The canonical SMILES for (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine is CC1(C)c2ccccc2-c2cc(N[C@@H]3C(c4ccccc4)N3c3ccccc3N)c(-c3ccccc3)cc21.
What is the InChIKey of (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine?
The InChIKey is LXMPYSQLRKKPLW-GYSWBSHDSA-N. The full InChI is InChI=1S/C35H31N3/c1-35(2)28-18-10-9-17-25(28)27-22-31(26(21-29(27)35)23-13-5-3-6-14-23)37-34-33(24-15-7-4-8-16-24)38(34)32-20-12-11-19-30(32)36/h3-22,33-34,37H,36H2,1-2H3/t33?,34-,38?/m0/s1.
What are the key properties of (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine?
(2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine has a molecular weight of 493.65 g/mol, XLogP of 8.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-aminophenyl)-N-(9,9-dimethyl-2-phenylfluoren-3-yl)-3-phenylaziridin-2-amine is sourced from PubChem (CID 118449545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).