N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine

C38H31N3O — CID 118534379

IUPACN-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine
SMILESNc1ccccc1C(c1ccccc1)[C@H](N)c1ccc(Nc2cc3c(cc2-c2ccccc2)oc2ccccc23)cc1
InChIInChI=1S/C38H31N3O/c39-33-17-9-7-16-30(33)37(26-13-5-2-6-14-26)38(40)27-19-21-28(22-20-27)41-34-23-32-29-15-8-10-18-35(29)42-36(32)24-31(34)25-11-3-1-4-12-25/h1-24,37-38,41H,39-40H2/t37?,38-/m1/s1
InChIKeySKLLTLSPEBXTOM-YWIOZPJLSA-N
MW545.69 g/mol
LogP9.41
Rot. Bonds7

About N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine

N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine (PubChem CID 118534379) has the molecular formula C38H31N3O and a molecular weight of 545.69 g/mol. Its IUPAC name is N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine
PubChem CID118534379
Molecular FormulaC38H31N3O
Molecular Weight545.69 g/mol
Exact Mass545.25
IUPAC NameN-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine
SMILESNc1ccccc1C(c1ccccc1)[C@H](N)c1ccc(Nc2cc3c(cc2-c2ccccc2)oc2ccccc23)cc1
InChIInChI=1S/C38H31N3O/c39-33-17-9-7-16-30(33)37(26-13-5-2-6-14-26)38(40)27-19-21-28(22-20-27)41-34-23-32-29-15-8-10-18-35(29)42-36(32)24-31(34)25-11-3-1-4-12-25/h1-24,37-38,41H,39-40H2/t37?,38-/m1/s1
InChIKeySKLLTLSPEBXTOM-YWIOZPJLSA-N
XLogP9.41
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 59.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-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-(3-methylphenyl)-3-phenyldibenzofuran-2-amine
CID 121356816
2,3-diphenyldibenzofuran
CID 12699263
2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine
CID 141309629
4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
CID 164934515
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
3-N,4,6-triphenylbenzene-1,3-diamine
CID 118930756
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136885
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline
CID 118534077
N-(4-propan-2-ylphenyl)dibenzofuran-3-amine
CID 130195251
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074
2-chloro-3-phenyldibenzofuran
CID 166918311
N-dibenzofuran-1-yldibenzofuran-2-amine
CID 164743454

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine?
The IUPAC name of N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine (CID 118534379) is N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine is Nc1ccccc1C(c1ccccc1)[C@H](N)c1ccc(Nc2cc3c(cc2-c2ccccc2)oc2ccccc23)cc1.
What is the InChIKey of N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine?
The InChIKey is SKLLTLSPEBXTOM-YWIOZPJLSA-N. The full InChI is InChI=1S/C38H31N3O/c39-33-17-9-7-16-30(33)37(26-13-5-2-6-14-26)38(40)27-19-21-28(22-20-27)41-34-23-32-29-15-8-10-18-35(29)42-36(32)24-31(34)25-11-3-1-4-12-25/h1-24,37-38,41H,39-40H2/t37?,38-/m1/s1.
What are the key properties of N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine?
N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine has a molecular weight of 545.69 g/mol, XLogP of 9.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-amino-2-(2-aminophenyl)-2-phenylethyl]phenyl]-3-phenyldibenzofuran-2-amine is sourced from PubChem (CID 118534379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).