N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine

C48H29NOS2 — CID 170666068

IUPACN-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2c(-c3cccc4sc5ccccc5c34)cccc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H29NOS2/c1-2-13-30(14-3-1)46-35(36-19-12-26-44-47(36)38-17-6-9-25-43(38)51-44)18-10-21-39(46)49(31-27-28-34-33-16-5-8-24-42(33)52-45(34)29-31)40-22-11-20-37-32-15-4-7-23-41(32)50-48(37)40/h1-29H
InChIKeySXKMYYKWLXFANX-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

About N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine

N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 170666068) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
PubChem CID170666068
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC NameN-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2c(-c3cccc4sc5ccccc5c34)cccc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H29NOS2/c1-2-13-30(14-3-1)46-35(36-19-12-26-44-47(36)38-17-6-9-25-43(38)51-44)18-10-21-39(46)49(31-27-28-34-33-16-5-8-24-42(33)52-45(34)29-31)40-22-11-20-37-32-15-4-7-23-41(32)50-48(37)40/h1-29H
InChIKeySXKMYYKWLXFANX-UHFFFAOYSA-N
XLogP15.13
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine
CID 146574174
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
N-dibenzofuran-4-yl-N-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine
CID 164965115
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine (CID 170666068) is N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2c(-c3cccc4sc5ccccc5c34)cccc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is SXKMYYKWLXFANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-2-13-30(14-3-1)46-35(36-19-12-26-44-47(36)38-17-6-9-25-43(38)51-44)18-10-21-39(46)49(31-27-28-34-33-16-5-8-24-42(33)52-45(34)29-31)40-22-11-20-37-32-15-4-7-23-41(32)50-48(37)40/h1-29H.
What are the key properties of N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine?
N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 699.90 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 170666068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).