N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine

C52H33NOS — CID 171435491

IUPACN-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc(-c5ccccc5)c5c4oc4ccccc45)ccc3c2)cc1
InChIInChI=1S/C52H33NOS/c1-3-11-34(12-4-1)37-19-20-39-32-42(27-23-38(39)31-37)53(41-25-21-35(22-26-41)40-24-28-45-44-15-8-10-18-49(44)55-50(45)33-40)47-30-29-43(36-13-5-2-6-14-36)51-46-16-7-9-17-48(46)54-52(47)51/h1-33H
InChIKeyGMPYTWMLCBNJCU-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine

N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (PubChem CID 171435491) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
PubChem CID171435491
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc(-c5ccccc5)c5c4oc4ccccc45)ccc3c2)cc1
InChIInChI=1S/C52H33NOS/c1-3-11-34(12-4-1)37-19-20-39-32-42(27-23-38(39)31-37)53(41-25-21-35(22-26-41)40-24-28-45-44-15-8-10-18-49(44)55-50(45)33-40)47-30-29-43(36-13-5-2-6-14-36)51-46-16-7-9-17-48(46)54-52(47)51/h1-33H
InChIKeyGMPYTWMLCBNJCU-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-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-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435415
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434565
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435354
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820649
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434660
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397227
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
CID 176820484
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820875
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
CID 171435439

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (CID 171435491) is N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is c1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc(-c5ccccc5)c5c4oc4ccccc45)ccc3c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The InChIKey is GMPYTWMLCBNJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-3-11-34(12-4-1)37-19-20-39-32-42(27-23-38(39)31-37)53(41-25-21-35(22-26-41)40-24-28-45-44-15-8-10-18-49(44)55-50(45)33-40)47-30-29-43(36-13-5-2-6-14-36)51-46-16-7-9-17-48(46)54-52(47)51/h1-33H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 171435491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).