N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine

C52H33NOS — CID 171435439

IUPACN-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-38(12-3-1)43-30-31-47-44-14-6-8-16-48(44)54-52(47)51(43)53(42-28-29-46-45-15-7-9-17-49(45)55-50(46)33-42)41-26-24-36(25-27-41)35-18-20-37(21-19-35)40-23-22-34-10-4-5-13-39(34)32-40/h1-33H
InChIKeyZBSNXZGKWZJMHL-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine

N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine (PubChem CID 171435439) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
PubChem CID171435439
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-38(12-3-1)43-30-31-47-44-14-6-8-16-48(44)54-52(47)51(43)53(42-28-29-46-45-15-7-9-17-49(45)55-50(46)33-42)41-26-24-36(25-27-41)35-18-20-37(21-19-35)40-23-22-34-10-4-5-13-39(34)32-40/h1-33H
InChIKeyZBSNXZGKWZJMHL-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

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435294
3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171435238
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435096
N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435306
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 171435473
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 171434720
N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171434796
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-3-phenyldibenzothiophen-4-amine
CID 171435403
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 167397714

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine (CID 171435439) is N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine is c1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine?
The InChIKey is ZBSNXZGKWZJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-11-38(12-3-1)43-30-31-47-44-14-6-8-16-48(44)54-52(47)51(43)53(42-28-29-46-45-15-7-9-17-49(45)55-50(46)33-42)41-26-24-36(25-27-41)35-18-20-37(21-19-35)40-23-22-34-10-4-5-13-39(34)32-40/h1-33H.
What are the key properties of N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine?
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-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-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine is sourced from PubChem (CID 171435439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).