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

C52H33NOS — CID 171435290

IUPACN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)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)40-24-30-50-47(33-40)45-16-8-10-18-49(45)55-50)51-43(36-13-5-2-6-14-36)28-29-46-44-15-7-9-17-48(44)54-52(46)51/h1-33H
InChIKeyISDRNWBGADCSLO-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (PubChem CID 171435290) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
PubChem CID171435290
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)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)40-24-30-50-47(33-40)45-16-8-10-18-49(45)55-50)51-43(36-13-5-2-6-14-36)28-29-46-44-15-7-9-17-48(44)54-52(46)51/h1-33H
InChIKeyISDRNWBGADCSLO-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-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435294
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
CID 171435439
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
3-phenyl-N-[4-(6-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434586
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 168767541
N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 171434720
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435530
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820649

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (CID 171435290) is N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is c1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)ccc3c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The InChIKey is ISDRNWBGADCSLO-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)40-24-30-50-47(33-40)45-16-8-10-18-49(45)55-50)51-43(36-13-5-2-6-14-36)28-29-46-44-15-7-9-17-48(44)54-52(46)51/h1-33H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
N-(4-dibenzothiophen-2-ylphenyl)-3-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-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 171435290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).